SCHEMBL16355402

SCHEMBL16355402

Cc1ccc(Br)c(C(C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
TYR P14679 2/20 0.44
CA2 P00918 1/20 0.44
POLB P06746 1/20 0.44
TSHR P16473 2/20 0.39
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
HSPA5 P11021 1/20 0.36
CYP1A2 P05177 3/20 0.36
CYP2A6 P11509 2/20 0.36
MAPT P10636 4/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HTT P42858 2/20 0.36
MAPK1 P28482 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP2C9 P11712 2/20 0.35

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
SCHEMBL14726956 0.82 SMN1; SMN2 (0.40) ALDH1A1SMN1; SMN2TYRCA2POLB
SCHEMBL4544654 0.81 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2TYRCA2POLB
SCHEMBL30503592 0.79 MAPT (0.53) SMN1; SMN2MAPTMEN1KMT2AHTT
SCHEMBL169128 0.79 MAPT (0.53) SMN1; SMN2MAPTMEN1KMT2AHTT
SCHEMBL10608770 0.79 MEN1 (0.33) ALDH1A1SMN1; SMN2TYRCA2POLB
SCHEMBL30645676 0.78 PTGDR2 (0.44) ALDH1A1SMN1; SMN2TYRCA2CYP1A2
SCHEMBL7178861 0.78 PTGDR2 (0.44) ALDH1A1SMN1; SMN2TYRCA2CYP1A2
SCHEMBL17594923 0.77 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2TYRCA2POLB
SCHEMBL9246916 0.76 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2TYRCA2TSHR
SCHEMBL30872249 0.76 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2TYRCA2TSHR

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
US-11807624-B2 Substituted pyrimidinones as agonists of the APJ receptor AMGEN INC. (US) 2023-11-07 US disclosed
EP-2825536-B1 BIS-QUARTERNARY CINCHONA ALKALOID SALTS AS ASYMMETRIC PHASE TRANSFER CATALYSTS MERCK SHARP & DOHME (US) 2020-06-17 EP disclosed
US-20180127447-A1 METATHESIS CATALYSTS AND METHODS THEREOF NATIONAL INSTITUTES OF HEALTH 2018-05-10 US disclosed
US-9850268-B2 Metathesis catalysts and methods thereof TRUSTEES OF BOSTON COLLEGE (US) 2017-12-26 US disclosed
US-9441059-B2 Metathesis catalysts and methods thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-09-13 US disclosed
US-20160194343-A1 METATHESIS CATALYSTS AND METHODS THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-07-07 US disclosed
US-20140378637-A1 METATHESIS CATALYSTS AND METHODS THEREOF NATIONAL SCIENCE FOUNDATION 2014-12-25 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 (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-20160194343-A1 METATHESIS CATALYSTS AND METHODS THEREOF INF2, AFF2, KRAS ALDH1A1 296/4885SMN1; SMN2 1779/4885TYR 53/4885
US-20180127447-A1 METATHESIS CATALYSTS AND METHODS THEREOF INF2, AFF2, KRAS ALDH1A1 296/4885SMN1; SMN2 1779/4885TYR 53/4885
US-11807624-B2 Substituted pyrimidinones as agonists of the APJ receptor APLNR, AGTR1, AGTR2 ALDH1A1 1619/4885SMN1; SMN2 3107/4885TYR 3712/4885

“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.