SCHEMBL15070880

SCHEMBL15070880

CC(C)(C)c1ccc2cc(Cl)ccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.50
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HSD17B2 P37059 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
POLB P06746 1/20 0.41
CCR9 P51686 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 2/20 0.38
SERPINE1 P05121 1/20 0.38
HTT P42858 1/20 0.38
KCNH2 Q12809 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
FBP1 P09467 2/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL23479360 0.93 CYP2A6 (0.48) CYP2A6MEN1KMT2AHSD17B2ALDH1A1
SCHEMBL348347 0.85 ALDH1A1 (0.52) MEN1KMT2AALDH1A1HPGDALOX15
SCHEMBL30010382 0.85 ALDH1A1 (0.52) MEN1KMT2AALDH1A1HPGDALOX15
SCHEMBL28105147 0.83 ALDH1A1 (0.50) MEN1KMT2AALDH1A1HPGDALOX15
SCHEMBL19806133 0.80 CCR9 (0.45) CYP2A6MEN1KMT2AHSD17B2POLB
SCHEMBL3418351 0.80 ALDH1A1 (0.48) MEN1KMT2AALDH1A1HPGDALOX15
SCHEMBL29447635 0.80 ALDH1A1 (0.48) MEN1KMT2AALDH1A1HPGDALOX15
SCHEMBL29438045 0.80 ALDH1A1 (0.48) MEN1KMT2AALDH1A1HPGDALOX15
SCHEMBL29438049 0.80 ALDH1A1 (0.48) MEN1KMT2AALDH1A1HPGDALOX15
SCHEMBL983124 0.80 ALDH1A1 (0.48) MEN1KMT2AALDH1A1HPGDALOX15

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12030853-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2024-07-09 US disclosed
US-12030853-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2024-07-09 US disclosed
US-20230322788-A1 IMIDAZOTRIAZINE AND PYRROLOPYRIMIDINE DERIVATIVES AS KRAS G12C INHIBITORS BEONE MEDICINES I GMBH (CH) 2023-10-12 US disclosed
US-11130731-B2 Sulfonylureas and related compounds and use of same THE PROVOST, FELLOWS, FOUNDATION SCHOLARS, AND THE OTHER MEMBERS OF BOARD, OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH NEAR DUBLIN (IE) 2021-09-28 US disclosed
US-20210171461-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION 2021-06-10 US disclosed
US-20180022707-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-01-25 US disclosed
US-9486422-B2 Small molecule inhibitors of Mcl-1 and the uses of thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-11-08 US disclosed
US-8952027-B2 Inhibitors of syk and JAK protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2015-02-10 US disclosed
US-20130165431-A1 INHIBITORS OF SYK AND JAK PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2013-06-27 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 (6 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-20130165431-A1 INHIBITORS OF SYK AND JAK PROTEIN KINASES SYK, BTK, JAK1 CYP2A6 2328/4885MEN1 3829/4885KMT2A 1915/4885
US-11130731-B2 Sulfonylureas and related compounds and use of same NLRP3, PYCARD, IAPP CYP2A6 4197/4885MEN1 3639/4885KMT2A 4072/4885
US-20230322788-A1 IMIDAZOTRIAZINE AND PYRROLOPYRIMIDINE DERIVATIVES AS KRAS G12C INHIBITORS KRAS, NRAS, HRAS CYP2A6 4169/4885MEN1 676/4885KMT2A 589/4885
US-20180022707-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF KDM1B, KDM6B, KDM2B CYP2A6 2951/4885MEN1 2924/4885KMT2A 29/4885
US-12030853-B2 MASP-2 inhibitors and methods of use MASP2, METAP2, SPINT2 CYP2A6 4656/4885MEN1 150/4885KMT2A 2885/4885
US-20210171461-A1 MASP-2 INHIBITORS AND METHODS OF USE MASP2, METAP2, SPINT2 CYP2A6 4656/4885MEN1 150/4885KMT2A 2885/4885

“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.