SCHEMBL804660

SCHEMBL804660

CC(=O)Oc1cc(C)ccc1C(=O)Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.49
LMNA P02545 2/20 0.46
ALDH1A1 P00352 5/20 0.44
KMT2A Q03164 1/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
USP2 O75604 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
ACHE P22303 1/20 0.44
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CFD P00746 2/20 0.42
TSHR P16473 2/20 0.41
ESR1 P03372 1/20 0.41
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
HMGB1 P09429 1/20 0.41

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
SCHEMBL1317441 0.84 KDM4E (0.69) KDM4ELMNAALDH1A1KMT2AHPGD
Hydrochloric Acid SCHEMBL11587962 0.82 KDM4E (0.67) KDM4ELMNAALDH1A1KMT2AHPGD
SCHEMBL3379096 0.82 KDM4E (0.49) KDM4ELMNAALDH1A1KMT2AHPGD
SCHEMBL14744132 0.82 KDM4E (0.72) KDM4ELMNAALDH1A1KMT2AHPGD
SCHEMBL4274425 0.82 KDM4E (0.49) KDM4ELMNAALDH1A1KMT2AHPGD
SCHEMBL11756782 0.81 ACHE (0.52) KDM4ELMNAALDH1A1KMT2AHPGD
SCHEMBL10785208 0.81 KMT2A (0.51) ALDH1A1KMT2AHPGDCYP2C19RAB9A
SCHEMBL3324155 0.81 ACHE (0.62) KDM4ELMNAALDH1A1ACHERAB9A
SCHEMBL8320523 0.81 MAPT (0.49) KDM4ELMNAALDH1A1KMT2AHPGD
SCHEMBL4274429 0.81 KDM4E (0.51) KDM4ELMNAALDH1A1KMT2AHPGD

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-8748632-B2 Positive allosteric modulators of group II mGluRs SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2014-06-10 US disclosed
US-20120071503-A1 POSITIVE ALLOSTERIC MODULATORS OF GROUP II MGLURS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2012-03-22 US disclosed
US-4091097-A A 2'-HYDROXY-3-CARBOXY-4,5-SUBSTITUTED-BENZANILIDE, ITS ESTERS AND SALTS ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JA) 1978-05-23 US disclosed
US-4024253-A BENZANILIDE DERIVATIVES ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JA) 1977-05-17 US disclosed
US-3973038-A N-SUBSTITUTED PHENYL 2-HYDROXY BENZAMIDES ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JA) 1976-08-03 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-20120071503-A1 POSITIVE ALLOSTERIC MODULATORS OF GROUP II MGLURS GRM2, GRM1, GRIN2C KDM4E 1353/4885LMNA 4797/4885ALDH1A1 4343/4885

“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.