SCHEMBL18463883

SCHEMBL18463883

CC(C)(C)C(C)(c1ccc2cc(F)ccc2n1)C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 2/20 0.50
▸ CYP1A2 P05177 2/20 0.36
▸ CYP2A6 P11509 1/20 0.36
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ PDE3B Q13370 1/20 0.35
▸ PDE3A Q14432 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ TSHR P16473 1/20 0.34
▸ PDE10A Q9Y233 5/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ NFKB2 Q00653 1/20 0.33
▸ RELA Q04206 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL18463779 0.87 AR (0.35) BACE1CYP1A2CYP2A6KDM4EPDE10A
SCHEMBL10220179 0.85 BACE1 (0.53) BACE1CYP1A2CYP2A6CYP3A4CYP2C9
SCHEMBL5833184 0.79 BACE1 (0.55) BACE1CYP1A2CYP2A6CYP3A4CYP2C9
SCHEMBL12473918 0.79 BACE1 (0.47) BACE1CYP1A2CYP2A6CYP3A4CYP2C9
SCHEMBL18463931 0.79 HTR3A (0.43) BACE1CYP2A6PDE3BPDE3AKDM4E
SCHEMBL18463859 0.76 KDM4E (0.40) BACE1CYP3A4CYP2C9CYP2C19KDM4E
SCHEMBL18463935 0.76 KDM4E (0.40) BACE1CYP3A4CYP2C9CYP2C19KDM4E
SCHEMBL18464484 0.73 CYP1A2 (0.48) BACE1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL30976616 0.71 BACE1 (0.50) BACE1CYP1A2CYP2A6PDE3BPDE3A
SCHEMBL384813 0.71 CYP1A2 (0.63) BACE1CYP1A2CYP2A6KDM4ETSHR

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 BACE1 1738/4885CYP1A2 4140/4885CYP2A6 3806/4885
US-10633338-B2 Binding Function 3 (BF3) site compounds as therapeutics and methods for their use KLK3, SHBG, ACP3 BACE1 1738/4885CYP1A2 4140/4885CYP2A6 3806/4885
US-10351527-B2 Binding function 3 (BF3) site compounds as therapeutics and methods for their use KLK3, SHBG, ACP3 BACE1 1738/4885CYP1A2 4140/4885CYP2A6 3806/4885
US-20210024464-A1 BINDING FUNCTION 3 (BF3) SITE COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE KLK3, SHBG, ACP3 BACE1 1738/4885CYP1A2 4140/4885CYP2A6 3806/4885
US-20170029372-A1 BINDING FUNCTION 3 (BF3) SITE COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE KLK3, SHBG, ACP3 BACE1 1738/4885CYP1A2 4140/4885CYP2A6 3806/4885

“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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