SCHEMBL80051

SCHEMBL80051

C=Cc1cc(C(C)(C)C)ccn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
KIF11 P52732 2/20 0.35
ALDH1A1 P00352 3/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPT P10636 2/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
PKM P14618 1/20 0.31
RECQL P46063 1/20 0.31

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
SCHEMBL12510671 0.83 MAPK1 (0.37) HDAC8CYP3A4CYP2D6PSEN1PSEN2
SCHEMBL20927038 0.82 CYP3A4 (0.33) HDAC8CYP3A4CYP2D6PSEN1PSEN2
SCHEMBL34460166 0.80 MAPT (0.36) HDAC8KIF11ALDH1A1HPGDALOX15
SCHEMBL22096856 0.80 KIF11 (0.35) KIF11ALDH1A1HPGDALOX15HSD17B10
SCHEMBL5213660 0.80 NOS3 (0.52) HDAC8CYP3A4CYP2D6PSEN1PSEN2
SCHEMBL80327 0.80 MAPT (0.36) HDAC8KIF11ALDH1A1HPGDALOX15
SCHEMBL25601944 0.78 APLNR (0.34) KIF11ALDH1A1HPGDALOX15HSD17B10
SCHEMBL18867058 0.78 APLNR (0.34) KIF11ALDH1A1HPGDALOX15HSD17B10
SCHEMBL18948856 0.77 CYP3A4 (0.31) HDAC8CYP3A4CYP2D6PSEN1PSEN2
SCHEMBL4878468 0.72 KIF11 (0.38) HDAC8KIF11ALDH1A1HPGDALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240067656-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2024-02-29 US disclosed
US-11718630-B2 Compositions and methods for treating cancer THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-08-08 US disclosed
US-20230148061-A1 TEAD INHIBITORS AND USES THEREOF THE EHE FOUNDATION 2023-05-11 US disclosed
US-20230148061-A1 TEAD INHIBITORS AND USES THEREOF THE EHE FOUNDATION 2023-05-11 US disclosed
US-20230135350-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-05-04 US disclosed
US-11541044-B2 K-Ras modulators THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-01-03 US disclosed
US-20220332687-A1 HETEROARYL COMPOUNDS AND USES THEREOF SANOFI (FR) 2022-10-20 US disclosed
US-11358940-B2 K-Ras modulators THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-06-14 US disclosed
US-11351168-B1 2,4-disubstituted pyrimidines useful as kinase inhibitors CELGENE CAR LLC (BM) 2022-06-07 US disclosed
US-11208388-B2 Certain chemical entities, compositions, and methods NEUPHARMA, INC (US) 2021-12-28 US disclosed
US-20080300268-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2008-12-04 US disclosed
US-20080300268-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2008-12-04 US disclosed
US-20080221122-A1 ANALOGS OF DEHYDROPHENYLAHISTINS AND THEIR THEAPEUTIC USE BEYONDSPRING PHARMACEUTICALS, INC. 2008-09-11 US disclosed
US-20080221122-A1 ANALOGS OF DEHYDROPHENYLAHISTINS AND THEIR THEAPEUTIC USE BEYONDSPRING PHARMACEUTICALS, INC. 2008-09-11 US disclosed
US-20070078138-A1 Analogs of dehydrophenylahistins and their therapeutic use BEYONDSPRING PHARMACEUTICALS, INC. 2007-04-05 US disclosed
US-20070078138-A1 Analogs of dehydrophenylahistins and their therapeutic use BEYONDSPRING PHARMACEUTICALS, INC. 2007-04-05 US disclosed
EP-0538789-B1 Diene polymers having reduced hysteresis and improved raw viscosity incorporating primary partial coupling and terminals formed from vinyl compounds containing heterocyclic nitrogen groups BRIDGESTONE CORP (JP) 1995-12-13 EP disclosed
EP-0538789-A1 Diene polymers having reduced hysteresis and improved raw viscosity incorporating primary partial coupling and terminals formed from vinyl compounds containing heterocyclic nitrogen groups BRIDGESTONE CORPORATION (JP) 1993-04-28 EP disclosed
US-4260552-A INSECTICIDES, HERBICIDES UNIROYAL, INC. (US) 1981-04-07 US disclosed
US-4160846-A Method for controlling insects with tetrasubstituted organotin compounds UNIROYAL, INC. (US) 1979-07-10 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 (12 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-11541044-B2 K-Ras modulators KRAS, HRAS, NRAS HDAC8 595/4885CYP3A4 4677/4885CYP2D6 4542/4885
US-20230135350-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER KRAS, HRAS, NRAS HDAC8 606/4885CYP3A4 4840/4885CYP2D6 4817/4885
US-20230148061-A1 TEAD INHIBITORS AND USES THEREOF TEAD2, TEAD3, TEAD4 HDAC8 250/4885CYP3A4 858/4885CYP2D6 1755/4885
US-20080300268-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ABCG2, CYP3A5, CYP3A43 HDAC8 297/4885CYP3A4 8/4885CYP2D6 16/4885
US-20220332687-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 HDAC8 1316/4885CYP3A4 6/4885CYP2D6 10/4885
US-11718630-B2 Compositions and methods for treating cancer KRAS, HRAS, NRAS HDAC8 606/4885CYP3A4 4840/4885CYP2D6 4817/4885
US-11208388-B2 Certain chemical entities, compositions, and methods BRAF, PIK3CA, PLK1 HDAC8 929/4885CYP3A4 1264/4885CYP2D6 1933/4885
US-11351168-B1 2,4-disubstituted pyrimidines useful as kinase inhibitors DCK, CDK2, DTYMK HDAC8 1603/4885CYP3A4 2948/4885CYP2D6 2808/4885
US-20070078138-A1 Analogs of dehydrophenylahistins and their therapeutic use MKI67, HPGDS, HCCS HDAC8 2319/4885CYP3A4 3294/4885CYP2D6 1354/4885
US-20080221122-A1 ANALOGS OF DEHYDROPHENYLAHISTINS AND THEIR THEAPEUTIC USE HPGDS, DHPS, HCCS HDAC8 3140/4885CYP3A4 2850/4885CYP2D6 684/4885
US-11358940-B2 K-Ras modulators KRAS, HRAS, NRAS HDAC8 1251/4885CYP3A4 4636/4885CYP2D6 4322/4885
US-20240067656-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER KRAS, HRAS, NRAS HDAC8 606/4885CYP3A4 4840/4885CYP2D6 4817/4885

“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.