SCHEMBL6405698

SCHEMBL6405698

COc1cc(C)c(C=O)cc1C(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.54
GAA P10253 1/20 0.54
GFER P55789 1/20 0.54
KDM4E B2RXH2 3/20 0.46
RAB9A P51151 1/20 0.46
ALDH1A1 P00352 6/20 0.46
TSHR P16473 3/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAPT P10636 2/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
ERN1 O75460 4/20 0.42
PRKDC P78527 2/20 0.42
LMNA P02545 2/20 0.41
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
P2RX3 P56373 1/20 0.38
P2RX2 Q9UBL9 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
SCHEMBL4067830 0.85 ALDH1A1 (0.64) POLBGAAGFERKDM4EALDH1A1
SCHEMBL5883185 0.84 LMNA (0.40) POLBGAAGFERKDM4ERAB9A
SCHEMBL14036616 0.83 LMNA (0.47) POLBGAAGFERKDM4EALDH1A1
SCHEMBL10956114 0.82 POLB (0.54) POLBGAAGFERKDM4ERAB9A
SCHEMBL21302126 0.81 ALDH1A1 (0.49) POLBGAAGFERKDM4EALDH1A1
SCHEMBL1494078 0.81 ALDH1A1 (0.68) KDM4EALDH1A1TSHRTDP1MAPT
SCHEMBL11196471 0.80 CYP1A2 (0.49) POLBGAAGFERKDM4ERAB9A
SCHEMBL10955927 0.79 POLB (0.51) POLBGAAGFERKDM4ERAB9A
SCHEMBL29818672 0.79 ALDH1A1 (0.65) POLBGAAKDM4ERAB9AALDH1A1
SCHEMBL282147 0.79 ALDH1A1 (0.54) KDM4EALDH1A1TSHRTDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11617738-B2 6-amino-2,4-dihydropyrano [2,3-c] pyrazoles and methods of use PURDUE RESEARCH FOUNDATION (US) 2023-04-04 US disclosed
US-20210196684-A1 6-AMINO-2,4-DIHYDROPYRANO [2,3-C] PYRAZOLES AND METHODS OF USE PURDUE RESEARCH FOUNDATION (US) 2021-07-01 US disclosed
US-10980781-B2 6-amino-2,4-dihydropyrano [2,3-c] pyrazoles and methods of use PURDUE RESEARCH FOUNDATION (US) 2021-04-20 US disclosed
US-20200078336-A1 6-AMINO-2,4-DIHYDROPYRANO [2,3-C] PYRAZOLES AND METHODS OF USE PURDUE RESEARCH FOUNDATION (US) 2020-03-12 US disclosed
US-20190111044-A1 2-PHENETHENYLTETRAHYDRO ISOQUINOLINES USEFUL AS ANTI-HIV COMPOUNDS Prosetta Antiviral, Inc. 2019-04-18 US disclosed
US-10195189-B2 2-phenethenyltetrahydro isoquinolines useful as anti-HIV compounds Prosetta Antiviral, Inc. (US) 2019-02-05 US disclosed
WO-2018183587-A1 6-AMINO-2,4-DIHYDROPYRANO [2,3-C] PYRAZOLES AND METHODS OF USE PURDUE RESEARCH FOUNDATION (US) 2018-10-04 WO disclosed
US-20170368051-A1 2-PHENETHENYLTETRAHYDRO ISOQUINOLINES USEFUL AS ANTI-HIV COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-12-28 US disclosed
US-9518022-B2 Anti-HIV compounds PROSETTA ANTIVIRAL INC. (US) 2016-12-13 US disclosed
WO-2016100391-A1 2-PHENETHENYLTETRAHYDRO ISOQUINOLINES USEFUL AS ANTI-HIV COMPOUNDS Prosetta Antiviral, Inc. (US) 2016-06-23 WO disclosed
US-20160168100-A1 ANTI-HIV COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-16 US disclosed
WO-2008137102-A2 METHODS OF MODULATING AMYLOID BETA AND COMPOUNDS USEFUL THEREFOR TORREYPINES THERAPEUTICS, INC. (US) 2008-11-13 WO disclosed
US-6855730-B2 3-methylidenyl-2-indolinone modulators of protein kinase SUGEN, INC. (US) 2005-02-15 US disclosed
US-6689806-B1 MODULATING PROTEIN KINASES AND RELATED SIGNAL TRANSDUCTION PATHWAYS SUGEN, INC. 2004-02-10 US disclosed
US-20040024010-A1 3-methylidenyl-2-indolinone modulators of protein kinase SUGEN, INC. 2004-02-05 US disclosed
US-6531502-B1 Antitumor SUGEN, INC. 2003-03-11 US disclosed
EP-1165513-A1 INDOLINONE COMPOUNDS AS KINASE INHIBITORS Sugen, Inc. (US) 2002-01-02 EP disclosed
WO-2000056709-A1 INDOLINONE COMPOUNDS AS KINASE INHIBITORS SUGEN, INC. (US) 2000-09-28 WO disclosed
WO-2000008202-A9 3-METHYLIDENYL-2-INDOLINONE MODULATORS OF PROTEIN KINASE SUGEN INC (US) 2000-07-27 WO disclosed
WO-2000008202-A2 3-METHYLIDENYL-2-INDOLINONE MODULATORS OF PROTEIN KINASE SUGEN, INC. (US) 2000-02-17 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 (9 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-20190111044-A1 2-PHENETHENYLTETRAHYDRO ISOQUINOLINES USEFUL AS ANTI-HIV COMPOUNDS MAVS, EIF2AK2, POLRMT POLB 126/4885GAA 1987/4885GFER 4550/4885
US-20200078336-A1 6-AMINO-2,4-DIHYDROPYRANO [2,3-C] PYRAZOLES AND METHODS OF USE USP7, USP3, USP2 POLB 3541/4885GAA 712/4885GFER 3106/4885
US-10195189-B2 2-phenethenyltetrahydro isoquinolines useful as anti-HIV compounds MAVS, EIF2AK2, POLRMT POLB 126/4885GAA 1987/4885GFER 4550/4885
US-20160168100-A1 ANTI-HIV COMPOUNDS MAVS, SARS1, NFATC1 POLB 191/4885GAA 686/4885GFER 4444/4885
US-20040024010-A1 3-methylidenyl-2-indolinone modulators of protein kinase DMPK, MAP4K3, MAP3K20 POLB 4018/4885GAA 4509/4885GFER 4328/4885
US-20210196684-A1 6-AMINO-2,4-DIHYDROPYRANO [2,3-C] PYRAZOLES AND METHODS OF USE USP7, USP3, USP2 POLB 3541/4885GAA 712/4885GFER 3106/4885
US-10980781-B2 6-amino-2,4-dihydropyrano [2,3-c] pyrazoles and methods of use USP7, USP3, USP2 POLB 3541/4885GAA 712/4885GFER 3106/4885
US-20170368051-A1 2-PHENETHENYLTETRAHYDRO ISOQUINOLINES USEFUL AS ANTI-HIV COMPOUNDS MAVS, EIF2AK2, POLRMT POLB 126/4885GAA 1987/4885GFER 4550/4885
US-11617738-B2 6-amino-2,4-dihydropyrano [2,3-c] pyrazoles and methods of use USP7, USP3, USP2 POLB 3541/4885GAA 712/4885GFER 3106/4885

“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.