SCHEMBL9987952

SCHEMBL9987952

O=C(O)[C@H](O)c1ccc(O)c(F)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 4/20 0.57
TSHR P16473 3/20 0.57
NPSR1 Q6W5P4 1/20 0.57
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
LMNA P02545 5/20 0.47
MAPK1 P28482 2/20 0.47
SHBG P04278 1/20 0.46
FOLH1 Q04609 1/20 0.45
KDM4E B2RXH2 5/20 0.44
HSD17B10 Q99714 4/20 0.44
TDP1 Q9NUW8 4/20 0.43
PTGS1 P23219 3/20 0.43
NR1I2 O75469 1/20 0.43
ADRA1A P35348 1/20 0.43
PMP22 Q01453 2/20 0.40
NFKB1 P19838 1/20 0.40
THPO P40225 1/20 0.40
RECQL P46063 1/20 0.40
HIF1A Q16665 1/20 0.40

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
SCHEMBL9987950 1.00 BLM (0.57) BLMTSHRNPSR1CES2CES1
SCHEMBL10305076 0.85 BLM (0.53) BLMTSHRNPSR1CES2CES1
SCHEMBL7094007 0.84 CES2 (0.65) BLMTSHRNPSR1CES2CES1
SCHEMBL2980094 0.84 CES2 (0.65) BLMTSHRNPSR1CES2CES1
SCHEMBL2980097 0.84 CES2 (0.65) BLMTSHRNPSR1CES2CES1
SCHEMBL43826 0.82 BLM (0.62) BLMTSHRNPSR1LMNAMAPK1
SCHEMBL10085813 0.82 BLM (0.62) BLMTSHRNPSR1LMNAMAPK1
SCHEMBL43825 0.82 BLM (0.62) BLMTSHRNPSR1LMNAMAPK1
SCHEMBL29881886 0.82 BLM (0.62) BLMTSHRNPSR1LMNAMAPK1
SCHEMBL29935536 0.82 BLM (0.62) BLMTSHRNPSR1LMNAMAPK1

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
US-8431750-B2 Preparation of hydroxyaromatic aldehydes RHODIA OPERATIONS (FR) 2013-04-30 US claimed
US-20110306802-A1 PREPARATION OF HYDROXYAROMATIC ALDEHYDES SPECIALTY OPERATIONS FRANCE (FR) 2011-12-15 US claimed
US-8431750-B2 Preparation of hydroxyaromatic aldehydes RHODIA OPERATIONS (FR) 2013-04-30 US disclosed
US-20110306802-A1 PREPARATION OF HYDROXYAROMATIC ALDEHYDES SPECIALTY OPERATIONS FRANCE (FR) 2011-12-15 US disclosed
US-4339594-A HYDROGENATION, HYDROGENATION CATALYSTS HOECHST AKTIENGESELLSCHAFT (DE) 1982-07-13 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-20110306802-A1 PREPARATION OF HYDROXYAROMATIC ALDEHYDES AOX1, ALDH2, ALDH1A1 BLM 1541/4885TSHR 4450/4885NPSR1 3112/4885

“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.