SCHEMBL19007329

SCHEMBL19007329

Cc1cc(C(C)C)cc(C(C)C)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43
MAPK1 P28482 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
CRHBP P24387 1/20 0.33
CYP2C19 P33261 1/20 0.33
CRHR2 Q13324 1/20 0.33
CRHR1 P34998 3/20 0.33
LMNA P02545 2/20 0.32
POLB P06746 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
KDM5A P29375 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
TRPA1 O75762 1/20 0.31
PTGS1 P23219 1/20 0.31
CACNA1C Q13936 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
SCHEMBL803445 0.85 POLB (0.38) NOS3NOS1NOS2MAPK1CRHR1
SCHEMBL722274 0.85 NOS3 (0.44) NOS3NOS1NOS2CYP3A4CYP2D6
SCHEMBL21078890 0.85 NOS3 (0.44) NOS3NOS1NOS2MAPK1CYP3A4
SCHEMBL25824534 0.85 NOS3 (0.39) NOS3NOS1NOS2CYP3A4CYP2D6
SCHEMBL4547885 0.78 NOS2 (0.61) NOS3NOS1NOS2CYP3A4CYP2D6
SCHEMBL16477747 0.74 PTGS1 (0.39) NOS3NOS1NOS2CYP3A4CYP2D6
SCHEMBL16414450 0.74 NOS3 (0.42) NOS3NOS1NOS2CYP3A4CYP2D6
SCHEMBL18068020 0.74 NOS3 (0.38) NOS3NOS1NOS2CYP3A4CYP2D6
SCHEMBL20063092 0.74 NOS3 (0.42) NOS3NOS1NOS2CYP3A4CYP2D6
SCHEMBL15980604 0.74 NOS3 (0.42) NOS3NOS1NOS2MAPK1CYP3A4

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-20230295457-A1 SURFACE TREATMENT LIQUID AND SURFACE TREATMENT METHOD TOKYO OHKA KOGYO CO., LTD. (JP) 2023-09-21 US disclosed
US-20230219927-A1 AKT3 MODULATORS Georgiamune Inc. 2023-07-13 US disclosed
US-20230219927-A1 AKT3 MODULATORS Georgiamune Inc. 2023-07-13 US disclosed
US-10179782-B2 Substituted sulfonamide compounds GENENTECH, INC. (US) 2019-01-15 US disclosed
US-10022354-B2 Pyrrolidine amide compounds as histone demethylase inhibitors GENENTECH, INC. (US) 2018-07-17 US disclosed
US-10022354-B2 Pyrrolidine amide compounds as histone demethylase inhibitors GENENTECH, INC. (US) 2018-07-17 US disclosed
US-20170312252-A1 PYRROLIDINE AMIDE COMPOUNDS AS HISTONE DEMETHYLASE INHIBITORS WUXI APPTEC (SHANGHAI) CO. LTD (CN) 2017-11-02 US disclosed
US-20170312252-A1 PYRROLIDINE AMIDE COMPOUNDS AS HISTONE DEMETHYLASE INHIBITORS WUXI APPTEC (SHANGHAI) CO. LTD (CN) 2017-11-02 US disclosed
US-20170174689-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2017-06-22 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 (5 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-10179782-B2 Substituted sulfonamide compounds TRPA1, TRPV1, TRPV5 NOS3 776/4885NOS1 1007/4885NOS2 661/4885
US-20170312252-A1 PYRROLIDINE AMIDE COMPOUNDS AS HISTONE DEMETHYLASE INHIBITORS KDM5A, KDM5C, KDM5B NOS3 1517/4885NOS1 1519/4885NOS2 1194/4885
US-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA NOS3 817/4885NOS1 3333/4885NOS2 3467/4885
US-10022354-B2 Pyrrolidine amide compounds as histone demethylase inhibitors KDM5A, KDM5C, KDM1B NOS3 1240/4885NOS1 1306/4885NOS2 964/4885
US-20170174689-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL3 NOS3 2136/4885NOS1 1520/4885NOS2 1536/4885

“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.