SCHEMBL3136657

SCHEMBL3136657

CC1(C)OB(c2ccc(C3CCCC3)cc2)OC1(C)C

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.49
LPL P06858 12/20 0.49
LIPG Q9Y5X9 12/20 0.49
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
CA12 O43570 1/20 0.41
CA3 P07451 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
F11 P03951 1/20 0.41
ESR2 Q92731 2/20 0.38
P2RX7 Q99572 1/20 0.37
P4HB P07237 1/20 0.36

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
SCHEMBL5818521 0.98 HIF1A (0.51) HIF1ALPLLIPGCA1CA2
SCHEMBL3708268 0.96 LPL (0.49) HIF1ALPLLIPGCA1CA2
SCHEMBL16112310 0.93 LPL (0.52) HIF1ALPLLIPGCA1CA2
SCHEMBL14804365 0.93 LPL (0.52) HIF1ALPLLIPGCA1CA2
SCHEMBL2018524 0.86 LPL (0.46) HIF1ALPLLIPGCA1CA2
SCHEMBL20428742 0.86 ESR2 (0.49) HIF1ALPLLIPGCA1CA2
SCHEMBL14804355 0.86 LPL (0.49) HIF1ALPLLIPGCA1CA2
SCHEMBL31222936 0.85 SLC18A3 (0.51) HIF1ALPLLIPG
SCHEMBL16394142 0.85 ESR2 (0.49) HIF1ALPLLIPGCA1CA2
SCHEMBL16669514 0.85 ESR2 (0.49) HIF1ALPLLIPGCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230002396-A1 THERAPEUTIC COMPOUNDS GENENTECH, INC. (US) 2023-01-05 US disclosed
US-20230002396-A1 THERAPEUTIC COMPOUNDS GENENTECH, INC. (US) 2023-01-05 US disclosed
EP-4065230-A1 THERAPEUTIC COMPOUNDS Genentech, Inc. (US) 2022-10-05 EP disclosed
CN-114786778-A Therapeutic compounds 基因泰克公司 2022-07-22 CN disclosed
CN-108341774-B Substituted quinolinone inhibitors 首药控股(北京)股份有限公司 2022-07-19 CN disclosed
WO-2021108483-A1 THERAPEUTIC COMPOUNDS GENENTECH, INC. (US) 2021-06-03 WO disclosed
US-8865726-B2 Substituted pyrazolo[1,5-a]pyrimidine compounds as mTOR inhibitors ARRAY BIOPHARMA INC. (US) 2014-10-21 US disclosed
US-20120178715-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS ARRAY BIOPHARMA INC. (US) 2012-07-12 US disclosed
US-7642361-B2 Thiophene and furan compounds ELI LILLY AND COMPANY (US) 2010-01-05 US disclosed
US-7642361-B2 Thiophene and furan compounds ELI LILLY AND COMPANY (US) 2010-01-05 US disclosed
US-7642361-B2 Thiophene and furan compounds ELI LILLY AND COMPANY (US) 2010-01-05 US disclosed
US-20070105852-A1 Thiophene and furan compounds ELI LILLY AND COMPANY 2007-05-10 US disclosed
US-20070105852-A1 Thiophene and furan compounds ELI LILLY AND COMPANY 2007-05-10 US disclosed
US-20070105852-A1 Thiophene and furan compounds ELI LILLY AND COMPANY 2007-05-10 US disclosed
EP-1706395-A1 THIOPHENE AND FURAN COMPOUNDS ELI LILLY AND COMPANY (US) 2006-10-04 EP disclosed
WO-2005070916-A1 THIOPHENE AND FURAN COMPOUNDS ELI LILLY AND COMPANY (US) 2005-08-04 WO disclosed
WO-2005070916-A1 THIOPHENE AND FURAN COMPOUNDS ELI LILLY AND COMPANY (US) 2005-08-04 WO 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 (3 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-20120178715-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS MTOR, RICTOR, EIF4EBP1 HIF1A 813/4885LPL 4868/4885LIPG 4794/4885
US-20070105852-A1 Thiophene and furan compounds PSEN2, PSEN1, TPMT HIF1A 4280/4885LPL 3073/4885LIPG 4207/4885
US-20230002396-A1 THERAPEUTIC COMPOUNDS YAP1, YES1, TEAD2 HIF1A 2751/4885LPL 3536/4885LIPG 3085/4885

“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.