SCHEMBL14214367

SCHEMBL14214367

CC1(C)OB(c2ccc3cc(C=O)[nH]c3c2)OC1(C)C

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.45
LPL P06858 13/20 0.41
LIPG Q9Y5X9 13/20 0.41
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
CA12 O43570 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
P4HB P07237 1/20 0.34
F11 P03951 1/20 0.32
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32

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
SCHEMBL28292828 0.89 CYP2A6 (0.45) CYP2A6LPLLIPGCA1CA2
SCHEMBL24595098 0.79 LIPG (0.45) LPLLIPGCA1CA2CA9
SCHEMBL12099854 0.79 LPL (0.45) CYP2A6LPLLIPGCA1CA2
SCHEMBL2172654 0.78 LPL (0.44) LPLLIPGCA1CA2CA9
SCHEMBL29490757 0.78 LPL (0.44) LPLLIPGCA1CA2CA9
SCHEMBL20611918 0.76 EIF4A3 (0.50) LPLLIPGP4HBF11
SCHEMBL31730898 0.75 LPL (0.42) LPLLIPGCA1CA2CA9
SCHEMBL15596487 0.74 LIPG (0.55) LPLLIPGIRAK4
SCHEMBL31282208 0.74 LIPG (0.55) LPLLIPGIRAK4
SCHEMBL2098959 0.74 CA9 (0.50) LPLLIPGCA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3647311-B1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO LTD (CN) 2023-11-01 EP disclosed
US-11130749-B2 2021-09-28 US disclosed
EP-3647311-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF Beijing Tide Pharmaceutical Co., Ltd. (CN) 2020-05-06 EP disclosed
US-20190276440-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2019-09-12 US disclosed
US-10329282-B2 Rho-associated protein kinase inhibitor, pharmaceutical composition comprising the same, as well as preparation method and use thereof BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2019-06-25 US disclosed
WO-2019001572-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF 北京泰德制药股份有限公司 2019-01-03 WO disclosed
US-20080119488-A1 Modulators Of Nuclear Receptors EXELIXIS, INC. (US) 2008-05-22 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 (4 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-20080119488-A1 Modulators Of Nuclear Receptors NR1H2, NR0B1, NR1H3 CYP2A6 147/4885LPL 1687/4885LIPG 2890/4885
US-11130749-B2 ROCK1, RHOA, ROCK2 CYP2A6 4022/4885LPL 2267/4885LIPG 734/4885
US-10329282-B2 Rho-associated protein kinase inhibitor, pharmaceutical composition comprising the same, as well as preparation method and use thereof ROCK1, RHOA, ROCK2 CYP2A6 3805/4885LPL 2333/4885LIPG 910/4885
US-20190276440-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF ROCK1, ROCK2, RHOA CYP2A6 3492/4885LPL 2594/4885LIPG 1266/4885

“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.