SCHEMBL5696709

SCHEMBL5696709

COc1ccc(-c2cc(C)ccc2C(=O)O)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.64
AKR1C3 P42330 4/20 0.51
AKR1C2 P52895 4/20 0.51
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 3/20 0.50
GAA P10253 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
PRKAB2 O43741 2/20 0.49
PRKAG1 P54619 2/20 0.49
PRKAA2 P54646 2/20 0.49
PRKAA1 Q13131 2/20 0.49
PRKAG3 Q9UGI9 2/20 0.49
PRKAG2 Q9UGJ0 2/20 0.49
PRKAB1 Q9Y478 2/20 0.49
HDAC7 Q8WUI4 1/20 0.49
GPR35 Q9HC97 2/20 0.48

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
SCHEMBL8566031 0.90 SMN1; SMN2 (0.64) SMN1; SMN2AKR1C3AKR1C2KDM4EALDH1A1
SCHEMBL7591657 0.88 SMN1; SMN2 (0.75) SMN1; SMN2AKR1C3AKR1C2KDM4EALDH1A1
SCHEMBL6498971 0.86 HDAC7 (0.57) SMN1; SMN2AKR1C3AKR1C2ALDH1A1GAA
SCHEMBL9681370 0.84 SMN1; SMN2 (0.64) SMN1; SMN2KDM4EALDH1A1GAARXFP1
SCHEMBL10993825 0.84 SMN1; SMN2 (0.64) SMN1; SMN2AKR1C3AKR1C2KDM4EALDH1A1
SCHEMBL16527361 0.83 SMN1; SMN2 (0.62) SMN1; SMN2AKR1C3AKR1C2KDM4EALDH1A1
SCHEMBL9683573 0.81 HSD17B10 (0.58) SMN1; SMN2AKR1C2ALDH1A1GAAPRKAB2
SCHEMBL11154359 0.81 ALDH1A1 (0.55) SMN1; SMN2AKR1C3KDM4EALDH1A1GAA
SCHEMBL3229733 0.81 HDAC7 (0.70) AKR1C3AKR1C2KDM4EALDH1A1GAA
SCHEMBL30073152 0.81 PRSS1 (0.48) SMN1; SMN2ALDH1A1GAARXFP1CYP1A2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1118644-B1 Hot melt printing ink SIEGWERK DRUCKFARBEN AG (DE) 2006-06-14 EP disclosed
US-20050038035-A1 Heterocyclic amide compounds as apolipoprotein b inhibitors DAISO CO., LTD. (JP) 2005-02-17 US disclosed
US-20040157866-A1 Amide compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-12 US disclosed
EP-1118644-A2 Hot melt printing ink Siegwerk Druckfarben GmbH & Co. KG (DE) 2001-07-25 EP 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 (2 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-20040157866-A1 Amide compounds APOB, NR1H2, NR1H3 SMN1; SMN2 1854/4885AKR1C3 367/4885AKR1C2 503/4885
US-20050038035-A1 Heterocyclic amide compounds as apolipoprotein b inhibitors APOB, APOL1, CTRB2 SMN1; SMN2 1921/4885AKR1C3 412/4885AKR1C2 679/4885

“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.