SCHEMBL22672623

SCHEMBL22672623

Cc1cc2ccc(C(=O)O)cc2cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.51
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2A6 P11509 1/20 0.50
▸ TDP1 Q9NUW8 2/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ HSP90AA1 P07900 1/20 0.42
▸ ESR2 Q92731 1/20 0.42
▸ MGAM O43451 1/20 0.42
▸ RARB P10826 3/20 0.42
▸ RARG P13631 3/20 0.42
▸ RARA P10276 2/20 0.42
▸ GRIN2D O15399 1/20 0.42
▸ GRIN2A Q12879 1/20 0.42
▸ GRIN2B Q13224 1/20 0.42
▸ GRIN2C Q14957 1/20 0.42
▸ CYP26A1 O43174 1/20 0.42
▸ CYP26B1 Q9NR63 1/20 0.42
▸ P4HA1 P13674 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
SCHEMBL1601229 0.93 CYP2A6 (0.50) KDM4ECYP1A2CYP2A6TDP1SMN1; SMN2
SCHEMBL29120491 0.79 NAPRT (0.56) KDM4ETDP1MGAMP4HA1P4HTM
SCHEMBL2671046 0.79 GABRP (0.56) KDM4ESMN1; SMN2MGAMP4HA1P4HTM
SCHEMBL22672439 0.78 KDM4E (0.47) KDM4ETDP1MGAMRARBRARG
SCHEMBL22663053 0.78 NPC1 (0.47) KDM4ETDP1SMN1; SMN2NPC1RAB9A
SCHEMBL2671618 0.78 HCAR3 (0.60) KDM4ERARBRARGRARACYP26A1
SCHEMBL2671236 0.78 KDM4E (0.60) KDM4ETDP1RAB9ARARBRARG
Methyl Alcohol SCHEMBL7181550 0.78 KDM4E (0.69) KDM4ETDP1SMN1; SMN2RARBRARG
SCHEMBL18758 0.78 KDM4E (0.68) KDM4ETDP1RARBRARGRARA
SCHEMBL6916181 0.78 KDM4E (0.68) KDM4ETDP1RARBRARGRARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200361920-A1 ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2020-11-19 — — 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-20200361920-A1 ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF SLC10A1, NR1H4, SLC10A2 KDM4E 3975/4885CYP1A2 114/4885CYP2A6 242/4885

“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.

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