SCHEMBL12463520

SCHEMBL12463520

CCC1Oc2ccc(C(C)(C)C)cc2O1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 1/20 0.39
▸ CA2 P00918 2/20 0.39
▸ CA9 Q16790 2/20 0.39
▸ CA1 P00915 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.38
▸ ALDH1A1 P00352 7/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ PLA2G1B P04054 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ CASP3 P42574 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38
▸ RELA Q04206 1/20 0.38
▸ SENP8 Q96LD8 1/20 0.38
▸ SENP7 Q9BQF6 1/20 0.38
▸ SENP6 Q9GZR1 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ ATG4B Q9Y4P1 1/20 0.38
▸ DAO P14920 1/20 0.37
▸ CA12 O43570 1/20 0.37

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
SCHEMBL14378361 0.79 ALDH1A1 (0.39) CYP19A1CA2CA9CA1HRH3
SCHEMBL12395319 0.77 ALDH1A1 (0.38) CYP19A1CA2CA9CA1HRH3
SCHEMBL1662122 0.75 AIMP2 (0.40) CYP19A1CA2CA9CA1ALDH1A1
SCHEMBL24904423 0.74 TRPV1 (0.43) ALDH1A1RAB9A
SCHEMBL7499699 0.73 AKR1B1 (0.40) CA2DAO
SCHEMBL2267094 0.73 ESR1 (0.44) CYP19A1
SCHEMBL25626596 0.73 CHRNB4 (0.38) CA2CA9CA1ALDH1A1NPC1
SCHEMBL18798745 0.73 HRH3 (0.34) CYP19A1HRH3ALDH1A1
SCHEMBL26749076 0.73 — —
SCHEMBL19419343 0.72 BRD4 (0.43) ALDH1A1L3MBTL1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7973181-B2 Hydroxamic acid derivatives as inhibitors of HDAC enzymatic activity CHROMA THERAPEUTICS LTD. (GB) 2011-07-05 — — US disclosed
US-20090298924-A1 HYDROXAMIC ACID DERIVATIVES AS INHIBITORS OF HDAC ENZYMATIC ACTIVITY CHROMA THERAPEUTICS LTD (GB) 2009-12-03 — — 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-20090298924-A1 HYDROXAMIC ACID DERIVATIVES AS INHIBITORS OF HDAC ENZYMATIC ACTIVITY HDAC1, HDAC3, HAT1 CYP19A1 461/4885CA2 103/4885CA9 110/4885

“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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