SCHEMBL762353

SCHEMBL762353

CN1CCOc2ccc(C(C)(C)C)cc21

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
POLB P06746 2/20 0.43
PKM P14618 2/20 0.42
NPC1 O15118 1/20 0.41
PKLR P30613 1/20 0.41
RAB9A P51151 1/20 0.41
AR P10275 1/20 0.41
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
KMT2A Q03164 1/20 0.38
NOTUM Q6P988 1/20 0.38
TDP1 Q9NUW8 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL762005 0.88 CYP11B1 (0.49) ALDH1A1POLBARCYP11B1CYP11B2
SCHEMBL14349339 0.87 PKM (0.43) POLBPKMNPC1PKLRRAB9A
SCHEMBL13151212 0.85 ALDH1A1 (0.44) ALDH1A1POLBNPC1RAB9AAR
SCHEMBL14349379 0.84 TDP1 (0.39) ALDH1A1POLBPKMNPC1PKLR
SCHEMBL24226100 0.83 ALDH1A1 (0.43) ALDH1A1POLBNPC1RAB9AHRH3
SCHEMBL14263433 0.82 ALDH1A1 (0.47) ALDH1A1POLBPKMHRH3L3MBTL1
SCHEMBL13165269 0.82 PDE3B (0.51) ALDH1A1POLBPKMKMT2A
SCHEMBL22693082 0.81 ALDH1A1 (0.44) ALDH1A1POLBARHRH3L3MBTL1
SCHEMBL25039105 0.81 ALDH1A1 (0.44) ALDH1A1POLBARHRH3L3MBTL1
SCHEMBL13165250 0.79 NOTUM (0.60) ALDH1A1POLBKMT2ANOTUMTDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 70 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11713322-B2 Benzimidazole derivatives as ERBB tyrosine kinase inhibitors for the treatment of cancer CAPELLA THERAPEUTICS, INC. (US) 2023-08-01 US disclosed
US-11655224-B2 Certain (2S)-N-[(1S)-1-cyano-2-phenylethyl]-1,4-oxazepane-2-carboxamides as dipeptidyl peptidase 1 inhibitors ASTRAZENECA AB (SE) 2023-05-23 US disclosed
US-11649242-B2 Pyrrolopyrrole compositions as pyruvate kinase (PKR) activators FORMA THERAPEUTICS, INC. (US) 2023-05-16 US disclosed
US-20230065368-A1 INHIBITING UBIQUITIN SPECIFIC PEPTIDASE 9X FORMA THERAPEUTICS, INC. 2023-03-02 US disclosed
US-20230047816-A1 PFKFB3 INHIBITORS AND THEIR USES GERO PTE. LTD. (SG) 2023-02-16 US disclosed
US-20230025301-A1 Novel Heterocyclic Derivatives with Cardiomyocyte Proliferation Activity for Treatment of Heart Diseases TONGJI UNIVERSITY (CN) 2023-01-26 US disclosed
US-20210346356-A1 INHIBITING UBIQUITIN SPECIFIC PEPTIDASE 9X FORMA THERAPEUTICS, INC. 2021-11-11 US disclosed
US-10828300-B2 Substituted 2,4-diaminopyrimidines as kinase inhibitors CELGENE CAR LLC (BM) 2020-11-10 US disclosed
US-20200239458-A1 INHIBITORS OF PROTEIN KINASES ALEXION PHARMACEUTICALS, INC. 2020-07-30 US disclosed
US-10596172-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors CELGENE CAR LLC (BM) 2020-03-24 US disclosed
US-20100105665-A1 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-29 US disclosed
US-20100048567-A1 Inhibitors of syk and JAK protein kinases PORTOLA PHARMACEUTICALS INC. (US) 2010-02-25 US disclosed
US-20100029610-A1 Heteroaryl Compounds and Uses Thereof AVILA THERAPEUTICS, INC. (US) 2010-02-04 US disclosed
US-20090318407-A1 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2009-12-24 US disclosed
US-20090318407-A1 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2009-12-24 US disclosed
US-20090312318-A1 THERAPEUTIC COMPOUNDS AND METHODS GILEAD SCIENCES, INC. 2009-12-17 US disclosed
US-20090286814-A1 HCV PROTEASE INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2009-11-19 US disclosed
US-20090286814-A1 HCV PROTEASE INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2009-11-19 US disclosed
EP-1458392-B1 ACRIDONES AS INHIBITORS OF IMPDH ENZYME BRISTOL MYERS SQUIBB CO (US) 2009-09-02 EP disclosed
US-7312209-B2 Acridone inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-25 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (16 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090318407-A1 Inhibitors of protein kinases SYK, BTK, JAK1 ALDH1A1 4344/4885POLB 2948/4885PKM 783/4885
US-20100105665-A1 RENIN INHIBITORS REN, ACE, AGT ALDH1A1 947/4885POLB 1491/4885PKM 638/4885
US-20100029610-A1 Heteroaryl Compounds and Uses Thereof ABCG2, CYP3A43, CYP3A5 ALDH1A1 684/4885POLB 3726/4885PKM 2625/4885
US-20210346356-A1 INHIBITING UBIQUITIN SPECIFIC PEPTIDASE 9X USP9X, RBX1, USP19 ALDH1A1 2583/4885POLB 1198/4885PKM 3071/4885
US-20230025301-A1 Novel Heterocyclic Derivatives with Cardiomyocyte Proliferation Activity for Treatment of Heart Diseases TNNI3, TNNT2, MKI67 ALDH1A1 1360/4885POLB 2280/4885PKM 278/4885
US-20230047816-A1 PFKFB3 INHIBITORS AND THEIR USES PFKFB3, PFKFB4, PFKFB1 ALDH1A1 1943/4885POLB 1101/4885PKM 29/4885
US-11655224-B2 Certain (2S)-N-[(1S)-1-cyano-2-phenylethyl]-1,4-oxazepane-2-carboxamides as dipeptidyl peptidase 1 inhibitors DPP4, DPP7, DPEP1 ALDH1A1 78/4885POLB 3144/4885PKM 2986/4885
US-20230065368-A1 INHIBITING UBIQUITIN SPECIFIC PEPTIDASE 9X USP9X, USP19, USP39 ALDH1A1 1794/4885POLB 2574/4885PKM 3873/4885
US-20090312318-A1 THERAPEUTIC COMPOUNDS AND METHODS SERPINB1, ABCC1, SERPINB6 ALDH1A1 1840/4885POLB 2109/4885PKM 1396/4885
US-20200239458-A1 INHIBITORS OF PROTEIN KINASES SYK, BTK, JAK1 ALDH1A1 4344/4885POLB 2948/4885PKM 783/4885
US-20090286814-A1 HCV PROTEASE INHIBITORS HAVCR2, SPINT2, RNASE1 ALDH1A1 982/4885POLB 2873/4885PKM 3156/4885
US-10828300-B2 Substituted 2,4-diaminopyrimidines as kinase inhibitors ABL1, DCK, ERBB2 ALDH1A1 1989/4885POLB 1267/4885PKM 695/4885
US-11713322-B2 Benzimidazole derivatives as ERBB tyrosine kinase inhibitors for the treatment of cancer ERBB2, ERBB4, ERBB3 ALDH1A1 1322/4885POLB 1676/4885PKM 981/4885
US-20100048567-A1 Inhibitors of syk and JAK protein kinases SYK, BTK, JAK1 ALDH1A1 3700/4885POLB 3100/4885PKM 602/4885
US-11649242-B2 Pyrrolopyrrole compositions as pyruvate kinase (PKR) activators PDK1, PKM, PKLR ALDH1A1 3741/4885POLB 1821/4885PKM 2/4885
US-10596172-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors DCK, CDK2, DTYMK ALDH1A1 2583/4885POLB 1191/4885PKM 1075/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.