SCHEMBL18463779

SCHEMBL18463779

CC(C)(C)C(C)(c1ccc2ccc(F)cc2n1)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ BACE1 P56817 1/20 0.35
▸ KMT2A Q03164 1/20 0.34
▸ CYP1A2 P05177 2/20 0.33
▸ CYP2A6 P11509 1/20 0.33
▸ CYSLTR2 Q9NS75 2/20 0.32
▸ CYSLTR1 Q9Y271 2/20 0.32
▸ PDE10A Q9Y233 1/20 0.32
▸ PDGFRB P09619 1/20 0.32
▸ PDGFRA P16234 1/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ NFKB1 P19838 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ NFKB2 Q00653 1/20 0.31
▸ RELA Q04206 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ MPO P05164 1/20 0.30

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
SCHEMBL18463883 0.87 BACE1 (0.50) KDM4EBACE1KMT2ACYP1A2CYP2A6
SCHEMBL18463881 0.80 AR (0.33) ARKDM4EBACE1KMT2ACYSLTR2
SCHEMBL18463725 0.79 CYP1A2 (0.53) KDM4EBACE1KMT2ACYP1A2CYP2A6
SCHEMBL30586445 0.79 NT5E (0.41) ARKDM4EBACE1KMT2ACYP1A2
SCHEMBL18463880 0.78 NR4A2 (0.43) ARKDM4EKMT2ACYP1A2ALDH1A1
SCHEMBL18463859 0.77 KDM4E (0.40) KDM4EBACE1KMT2APDGFRBPDGFRA
SCHEMBL18463935 0.77 KDM4E (0.40) KDM4EBACE1KMT2APDGFRBPDGFRA
SCHEMBL18464484 0.75 CYP1A2 (0.48) ARKDM4EBACE1CYP1A2NPC1
SCHEMBL17490340 0.74 MDM4 (0.40) ARKDM4ECYP1A2CYP2A6CYSLTR2
SCHEMBL10220179 0.72 BACE1 (0.53) KDM4EBACE1KMT2ACYP1A2CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210024464-A1 BINDING FUNCTION 3 (BF3) SITE COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE UNIV BRITISH COLUMBIA (CA) 2021-01-28 — — US disclosed
US-10633338-B2 Binding Function 3 (BF3) site compounds as therapeutics and methods for their use THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2020-04-28 — — US disclosed
US-20190300480-A1 BINDING FUNCTION 3 (BF3) SITE COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2019-10-03 — — US disclosed
US-10351527-B2 Binding function 3 (BF3) site compounds as therapeutics and methods for their use THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2019-07-16 — — US disclosed
US-20170029372-A1 BINDING FUNCTION 3 (BF3) SITE COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2017-02-02 — — 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 (5 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-20190300480-A1 BINDING FUNCTION 3 (BF3) SITE COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE KLK3, SHBG, ACP3 AR 29/4885KDM4E 3361/4885BACE1 1738/4885
US-10633338-B2 Binding Function 3 (BF3) site compounds as therapeutics and methods for their use KLK3, SHBG, ACP3 AR 29/4885KDM4E 3361/4885BACE1 1738/4885
US-10351527-B2 Binding function 3 (BF3) site compounds as therapeutics and methods for their use KLK3, SHBG, ACP3 AR 29/4885KDM4E 3361/4885BACE1 1738/4885
US-20210024464-A1 BINDING FUNCTION 3 (BF3) SITE COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE KLK3, SHBG, ACP3 AR 29/4885KDM4E 3361/4885BACE1 1738/4885
US-20170029372-A1 BINDING FUNCTION 3 (BF3) SITE COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE KLK3, SHBG, ACP3 AR 29/4885KDM4E 3361/4885BACE1 1738/4885

“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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