SCHEMBL3438786

SCHEMBL3438786

C=C(C(=O)O)c1ccccc1[SbH2]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
ALOX15 P16050 1/20 0.42
MAPT P10636 4/20 0.40
HDAC8 Q9BY41 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 2/20 0.37
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HMGB1 P09429 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA7 P43166 1/20 0.37
NAPRT Q6XQN6 1/20 0.37
CA14 Q9ULX7 1/20 0.37
LMNA P02545 1/20 0.35
XBP1 P17861 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL11123891 0.84 ALDH1A1 (0.52) ALDH1A1ALOX15MAPTHDAC8SMN1; SMN2
SCHEMBL9812570 0.78 MAPT (0.61) ALDH1A1ALOX15MAPTHDAC8SMN1; SMN2
SCHEMBL30231535 0.76 KDM4E (0.60) ALDH1A1ALOX15MAPTSMN1; SMN2HPGD
SCHEMBL928902 0.76 KDM4E (0.60) ALDH1A1ALOX15MAPTSMN1; SMN2HPGD
SCHEMBL3328547 0.76 ALDH1A1 (0.44) ALDH1A1ALOX15MAPTHDAC8SMN1; SMN2
SCHEMBL4804676 0.74 ALDH1A1 (0.42) ALDH1A1ALOX15MAPTSMN1; SMN2HPGD
SCHEMBL367697 0.74 ERCC5 (0.53) ALDH1A1ALOX15SMN1; SMN2HPGDKDM4E
SCHEMBL6472175 0.74 MEN1 (0.50) ALDH1A1ALOX15MAPTHDAC8SMN1; SMN2
SCHEMBL10346045 0.74 CES2 (0.58) ALDH1A1ALOX15MAPTHPGDLMNA
SCHEMBL7118618 0.74 MAPT (0.55) ALDH1A1ALOX15MAPTSMN1; SMN2HPGD

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-20150141470-A1 DIAGNOSTIC AND TREATMENT METHODS IN PATIENTS HAVING OR AT RISK OF DEVELOPING RESISTANCE TO CANCER THERAPY THE BROAD INSTITUTE, INC. (US) 2015-05-21 US disclosed
WO-2013169858-A1 DIAGNOSTIC AND TREATMENT METHODS IN PATIENTS HAVING OR AT RISK OF DEVELOPING RESISTANCE TO CANCER THERAPY THE BROAD INSTITUTE, INC. (US) 2013-11-14 WO disclosed
US-7807400-B2 Methods for identifying chemical modulators of Ras superfamily GTPase activity THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2010-10-05 US disclosed
US-20080027135-A1 Methods For Identifying Chemical Modulators Of Ras Superfamily Gptase Activity NORTH CAROLINA AT CHAPEL HILL, UNIVERSITY OF 2008-01-31 US disclosed
WO-2005115482-A2 METHODS FOR IDENTIFYING CHEMICAL MODULATORS OF RAS SUPERFAMILY GTPASE ACTIVITY THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2005-12-08 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-20150141470-A1 DIAGNOSTIC AND TREATMENT METHODS IN PATIENTS HAVING OR AT RISK OF DEVELOPING RESISTANCE TO CANCER THERAPY HDAC7, HDAC9, MAPK4 ALDH1A1 2143/4885ALOX15 4417/4885MAPT 3347/4885

“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.