SCHEMBL9945951

SCHEMBL9945951

CCCOc1ccc(C(C)C)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
CSNK2A1 P68400 2/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ACHE P22303 2/20 0.38
LMNA P02545 1/20 0.38
FFAR1 O14842 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
SCHEMBL11994372 0.92 FAAH (0.43) HTTALDH1A1SMN1; SMN2MRGPRX4L3MBTL1
SCHEMBL24935997 0.89 L3MBTL1 (0.40) HTTALDH1A1KDM4EMEN1USP2
SCHEMBL15000495 0.89 THRA (0.49) ALDH1A1MRGPRX4L3MBTL1LMNATHRA
SCHEMBL20225798 0.89 THRA (0.49) ALDH1A1MRGPRX4L3MBTL1LMNATHRA
SCHEMBL16955819 0.87 MAPT (0.39) HTTALDH1A1KDM4EMEN1USP2
SCHEMBL18713533 0.87 ALDH1A1 (0.39) HTTALDH1A1KDM4EMEN1USP2
SCHEMBL13877371 0.87 MAPT (0.42) HTTALDH1A1KDM4EMEN1USP2
SCHEMBL765878 0.86 HTT (0.42) HTTALDH1A1KDM4EMEN1USP2
SCHEMBL8228423 0.86 KDM1A (0.47) ALDH1A1MEN1MAPTKMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL4230691 0.85 MAPT (0.45) HTTALDH1A1KDM4EMEN1USP2

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-20210139456-A1 PYRIDAZINE COMPOUNDS FOR INHIBITING NAV1.8 LIEBER INSTITUTE, INC 2021-05-13 US disclosed
US-9815834-B2 Quinolone derivatives as fibroblast growth factor receptor inhibitors PRINCIPIA BIOPHARMA, INC. (US) 2017-11-14 US disclosed
US-20120149693-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-06-14 US disclosed
US-7332489-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2008-02-19 US disclosed
US-7332488-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2008-02-19 US disclosed
US-7238692-B2 Medical devices employing triazine compounds and compositions thereof REDDY US THERAPEUTICS, INC. (US) 2007-07-03 US disclosed
US-20070117795-A1 Methods and compositions of novel triazine compounds DR. REDDY'S LABORATORIES LTD. (IN) 2007-05-24 US disclosed
US-20070099874-A1 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-05-03 US disclosed
US-7169785-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-01-30 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-20210139456-A1 PYRIDAZINE COMPOUNDS FOR INHIBITING NAV1.8 SCN8A, SCN5A, SCN2A HTT 904/4885ALDH1A1 3396/4885KDM4E 3022/4885
US-20120149693-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 HTT 808/4885ALDH1A1 4010/4885KDM4E 4270/4885
US-20070099874-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS HTT 805/4885ALDH1A1 4407/4885KDM4E 3314/4885
US-20070117795-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS HTT 805/4885ALDH1A1 4407/4885KDM4E 3314/4885

“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.