SCHEMBL19059390

SCHEMBL19059390

CCCC(C)(CC)c1c(C)[nH]c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 1/20 0.44
▸ HTT P42858 2/20 0.43
▸ MAPT P10636 5/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ TSHR P16473 1/20 0.41
▸ KDM4E B2RXH2 3/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ GPR3 P46089 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ HTR6 P50406 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ CASP1 P29466 1/20 0.39

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
SCHEMBL24367843 0.80 AHR (0.50) AHRHTTMAPTCYP3A4CYP1A2
SCHEMBL14214508 0.76 AHR (0.57) AHRHTTMAPTCYP3A4CYP1A2
SCHEMBL4241023 0.72 AHR (0.48) AHRHTTMAPTCYP3A4CYP1A2
SCHEMBL24611517 0.71 AHR (0.55) AHRHTTMAPTCYP3A4CYP1A2
SCHEMBL7809398 0.70 MAPT (0.50) AHRHTTMAPTCYP3A4CYP1A2
SCHEMBL19059515 0.70 GPR84 (0.44) AHRMAPTCYP3A4CYP2C19ALDH1A1
SCHEMBL7915043 0.68 AHR (0.52) AHRHTTMAPTCYP3A4CYP1A2
SCHEMBL22817645 0.67 KDM4E (0.31) CYP1A2ALDH1A1TSHRKDM4EKMT2A
Carbazole SCHEMBL28852407 0.67 ALDH1A1 (0.78) AHRHTTMAPTCYP1A2ALDH1A1
SCHEMBL8552151 0.66 ALDH1A1 (0.71) AHRHTTMAPTCYP3A4ALDH1A1

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-10011573-B2 Human androgen receptor DNA-binding domain (DBD) compounds as therapeutics and methods for their use THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2018-07-03 — — US disclosed
US-20170183319-A1 HUMAN ANDROGEN RECEPTOR DNA-BINDING DOMAN (DBD) COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2017-06-29 — — 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 (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-10011573-B2 Human androgen receptor DNA-binding domain (DBD) compounds as therapeutics and methods for their use AR, SHBG, BRCA1 AHR 13/4885HTT 682/4885MAPT 2875/4885
US-20170183319-A1 HUMAN ANDROGEN RECEPTOR DNA-BINDING DOMAN (DBD) COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE AR, FSHR, ESRRB AHR 18/4885HTT 308/4885MAPT 1833/4885

“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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