SCHEMBL9988677

SCHEMBL9988677

COc1ccc(O)c([C@@H](O)C(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.53
BLM P54132 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
MAPT P10636 3/20 0.48
GAA P10253 2/20 0.48
POLB P06746 2/20 0.48
TDP2 O95551 1/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
ALDH1A1 P00352 4/20 0.46
HPGD P15428 3/20 0.46
MAPK1 P28482 2/20 0.46
ERN1 O75460 1/20 0.46
CYP3A4 P08684 1/20 0.46
PTGS2 P35354 3/20 0.45
AKR1C3 P42330 3/20 0.45
AKR1C2 P52895 3/20 0.45
PTGS1 P23219 2/20 0.45
CYP1A2 P05177 2/20 0.45
CDC42 P60953 1/20 0.45

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
SCHEMBL9988676 1.00 TSHR (0.53) TSHRBLMNPSR1MAPTGAA
SCHEMBL5144774 0.86 NPC1 (0.51) TSHRBLMNPSR1MAPTPOLB
SCHEMBL8615947 0.81 ALDH1A1 (0.47) TSHRBLMMAPTGAAPOLB
SCHEMBL7913214 0.81 AKR1C3 (0.44) TSHRBLMNPSR1MAPK1PTGS2
SCHEMBL4693831 0.81 AKR1C3 (0.44) TSHRBLMNPSR1MAPTNPC1
SCHEMBL16797641 0.81 MAPT (0.47) TSHRMAPTGAAPOLBTDP2
SCHEMBL11122389 0.80 AKR1C3 (0.60) TSHRBLMMAPTGAAPOLB
Hydrochloric Acid SCHEMBL8622290 0.80 ALDH1A1 (0.50) TSHRBLMMAPTGAAPOLB
SCHEMBL5518239 0.80 GAA (0.52) BLMMAPTGAAPOLBTDP2
SCHEMBL10318373 0.79 HTT (0.46) TSHRBLMNPSR1PTGS2AKR1C3

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-4339602-A Process of preparation of racemic hydroxyarylglycolic acids and novel products resulting therefrom SOCIETE FRANCAISE HOECHST (FR) 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 TSHR 4450/4885BLM 1541/4885NPSR1 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.