SCHEMBL6135814

SCHEMBL6135814

CC1(C(=O)O)C=CC(c2ccc(O)cc2)=CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.33
RARA P10276 1/20 0.33
RARB P10826 1/20 0.33
RARG P13631 1/20 0.33
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
APP P05067 2/20 0.31
CYP2C19 P33261 2/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
SENP1 Q9P0U3 1/20 0.31
MMP3 P08254 1/20 0.31
BCL2L1 Q07817 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
ESR1 P03372 1/20 0.30

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
SCHEMBL4371622 0.87 RARA (0.33) RARARARBRARGMEN1LMNA
SCHEMBL3884549 0.82 GRIN2B (0.32) MEN1MAPTKMT2A
SCHEMBL28908500 0.82 RARA (0.31) RARARARBRARG
SCHEMBL31559989 0.78 APP (0.34) HSD17B1MEN1LMNAMAPTRAB9A
SCHEMBL28768953 0.78 RARA (0.33) RARARARBRARGLMNAMAPT
SCHEMBL5320073 0.74 LMNA (0.36) RARARARBRARGMEN1LMNA
SCHEMBL19746580 0.74 MEN1 (0.42) MEN1MAPTKMT2ACYP2C19CYP2C9
SCHEMBL11581494 0.73 ESR1 (0.37) MEN1LMNAMAPTRAB9AKMT2A
SCHEMBL3883554 0.73 ALDH1A1 (0.33) HSD17B1RARARARBRARGMEN1
SCHEMBL6135426 0.72 GRIN2B (0.35) MEN1MAPTRAB9AKMT2AALDH1A1

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-1430025-A4 METHODS AND COMPOSITIONS FOR TREATING OR PREVENTING BACTERIAL INFECTION ZHU DEXU (CN) 2005-04-27 EP disclosed
EP-1430025-A1 METHODS AND COMPOSITIONS FOR TREATING OR PREVENTING BACTERIAL INFECTION Zhu, Dexu (CN) 2004-06-23 EP disclosed
US-6734212-B2 ADMINISTERING AGENT THAT SELECTIVELY INHIBITS BACTERIAL DNA REPLICATION INITIATION; FOR DISEASE OR DISORDER CAUSED BY OR ASSOCIATED WITH E. COLI OR H. PYLORI INFECTION SHANGHAI EAST BEST BIOPHARMACEUTICAL (CN) 2004-05-11 US disclosed
US-20030125384-A1 Methods and compositions for treating or preventing bacterial infection NANJING UNIVERSITY (CN) 2003-07-03 US disclosed
WO-2003029201-A1 METHODS AND COMPOSITIONS FOR TREATING OR PREVENTING BACTERIAL INFECTION ZHU DEXU (CN) 2003-04-10 WO 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-20030125384-A1 Methods and compositions for treating or preventing bacterial infection MPO, TNF, APC HSD17B1 1368/4885RARA 821/4885RARB 947/4885

“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.