SCHEMBL16675873

SCHEMBL16675873

COc1cc(Cl)cc(C)c1C=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 6/20 0.51
TRPV4 Q9HBA0 1/20 0.41
MAP3K14 Q99558 1/20 0.41
ALDH1A1 P00352 6/20 0.40
TDP1 Q9NUW8 3/20 0.40
HPGD P15428 2/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
ALOX12 P18054 1/20 0.40
MAPK1 P28482 1/20 0.40
RECQL P46063 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PRKDC P78527 1/20 0.40
TSHR P16473 3/20 0.39
KDM4E B2RXH2 2/20 0.39
FFAR4 Q5NUL3 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL15348507 0.88 ERN1 (0.58) ERN1TRPV4ALDH1A1TDP1HPGD
SCHEMBL16632430 0.83 PRKDC (0.52) ERN1TRPV4ALDH1A1TDP1HPGD
SCHEMBL1251300 0.82 ERN1 (0.53) ERN1TRPV4ALDH1A1TDP1HPGD
SCHEMBL5729812 0.81 ERN1 (0.41) ERN1ALDH1A1TDP1HPGDMEN1
SCHEMBL1225577 0.80 ERN1 (0.52) ERN1ALDH1A1TDP1MEN1MAPT
SCHEMBL1478624 0.79 ERN1 (0.50) ERN1TRPV4ALDH1A1TDP1MEN1
SCHEMBL15348481 0.79 ERN1 (0.66) ERN1TRPV4ALDH1A1TDP1HPGD
SCHEMBL4099200 0.78 ERN1 (0.65) ERN1ALDH1A1TDP1HPGDPRKDC
SCHEMBL2027384 0.77 ERN1 (0.58) ERN1ALDH1A1TDP1HPGDMEN1
SCHEMBL9279963 0.77 ERN1 (0.51) ERN1ALDH1A1TDP1HPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4562009-A1 NOVEL COMPOUNDS AC Immune SA (CH) 2025-06-04 EP disclosed
US-20240101563-A1 NOVEL COMPOUNDS AC IMMUNE SA (CH) 2024-03-28 US disclosed
WO-2024023266-A1 NOVEL COMPOUNDS AC IMMUNE SA (CH) 2024-02-01 WO disclosed
US-9518064-B2 Imidazothiadiazole and imidazopyridazine derivatives as protease activated receptor 4 (PAR4) inhibitors for treating platelet aggregation BRISTOL-MYERS SQUIBB COMPANY (US) 2016-12-13 US disclosed
US-20150119390-A1 IMIDAZOTHIADIAZOLE AND IMIDAZOPYRIDAZINE DERIVATIVES AS PROTEASE ACTIVATED RECEPTOR 4 (PAR4) INHIBITORS FOR TREATING PLATELET AGGREGATION BRISTOL-MYERS SQUIBB COMPANY 2015-04-30 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 (2 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-20240101563-A1 NOVEL COMPOUNDS NLRP3, NOD1, NLRP1 ERN1 366/4885TRPV4 737/4885MAP3K14 753/4885
US-20150119390-A1 IMIDAZOTHIADIAZOLE AND IMIDAZOPYRIDAZINE DERIVATIVES AS PROTEASE ACTIVATED RECEPTOR 4 (PAR4) INHIBITORS FOR TREATING PLATELET AGGREGATION F2RL3, F2R, F2RL1 ERN1 3386/4885TRPV4 156/4885MAP3K14 1156/4885

“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.