SCHEMBL8091887

SCHEMBL8091887

C=CCOC(=O)COc1ccc(CBr)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 3/20 0.49
HPGD P15428 3/20 0.49
HSD17B10 Q99714 3/20 0.49
SMN1; SMN2 Q16637 4/20 0.43
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
GAA P10253 1/20 0.40
CASP1 P29466 1/20 0.40
FFAR1 O14842 1/20 0.40
CYP3A4 P08684 2/20 0.39
MAPT P10636 2/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 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
SCHEMBL5093434 0.86 KDM4E (0.50) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL9542594 0.84 ALDH1A1 (0.53) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL5690353 0.83 KDM4E (0.52) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL8046472 0.82 TRPV1 (0.45) SMN1; SMN2NPSR1GAACYP3A4MAPT
SCHEMBL24871065 0.81 HPGD (0.57) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL1866841 0.81 CASP1 (0.56) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL8442271 0.81 CYP3A4 (0.43) ALDH1A1HSD17B10SMN1; SMN2TSHRNPSR1
SCHEMBL114035 0.81 CASP1 (0.56) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL13956306 0.80 ALDH1A1 (0.50) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL7228178 0.80 GAA (0.62) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2

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-5288514-A Linking a protected 2-aminobenzophenone to a substrate; deprotecting and reacting with an amino acid; cyclization; removal from substrate; screening THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1994-02-22 US claimed
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 US disclosed
US-6100254-A Inhibitors of protein tyrosine kinases BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2000-08-08 US disclosed
WO-1999019306-A2 2,3-BENZODIAZEPIN-2-ONE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF PROTEIN TYROSINE KINASES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1999-04-22 WO disclosed
US-5545568-A ARRAY OF COMPOUNDS ON SUBSTRATE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1996-08-13 US disclosed
WO-1994006291-A1 SOLID PHASE AND COMBINATORIAL SYNTHESIS OF COMPOUNDS ON A SOLID SUPPORT THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1994-03-31 WO disclosed
US-5288514-A Linking a protected 2-aminobenzophenone to a substrate; deprotecting and reacting with an amino acid; cyclization; removal from substrate; screening THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1994-02-22 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 (1 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-20240400499-A1 NOVEL AMINO ACID DERIVATIVES BCAT1, BCAT2, PELP1 KDM4E 3586/4885ALDH1A1 4472/4885HPGD 3877/4885

“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.