SCHEMBL12463519

SCHEMBL12463519

CCC1Cc2cc(C(C)(C)C)ccc2O1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.64
HRH4 Q9H3N8 1/20 0.40
ALDH1A1 P00352 4/20 0.37
HPGD P15428 1/20 0.33
CYP19A1 P11511 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
FFAR1 O14842 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL2056487 0.86 HRH3 (0.49) HRH3HRH4FFAR1FFAR4
SCHEMBL14439403 0.81 HRH3 (0.57) HRH3HRH4ALDH1A1TDP1FFAR1
SCHEMBL31525765 0.78 HRH3 (0.54) HRH3ALDH1A1HPGDCYP19A1KDM4E
SCHEMBL16232108 0.78 HRH3 (0.54) HRH3ALDH1A1CYP19A1KDM4ETDP1
SCHEMBL29303937 0.78 HRH3 (0.54) HRH3ALDH1A1CYP19A1KDM4ETDP1
SCHEMBL20651133 0.78 HRH3 (0.42) HRH3HRH4ALDH1A1MAPT
SCHEMBL5536594 0.77 MEN1 (0.50) HRH3HRH4ALDH1A1HPGDKDM4E
SCHEMBL5536590 0.77 HRH3 (0.41) HRH3HRH4ALDH1A1KDM4ETDP1
SCHEMBL17193927 0.77 AKR1B1 (0.46) HRH3HRH4MAPT
SCHEMBL16062592 0.77 HRH3 (0.62) HRH3HRH4

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 HRH3 92/4885HRH4 208/4885ALDH1A1 348/4885

“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.