SCHEMBL18463931

SCHEMBL18463931

CC(C)(C)C(C)(c1ccc2cc(Cl)ccc2n1)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR3A P46098 2/20 0.43
▸ HRH4 Q9H3N8 1/20 0.43
▸ BACE1 P56817 2/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.37
▸ CYP2A6 P11509 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ PDE3B Q13370 1/20 0.35
▸ PDE3A Q14432 1/20 0.35
▸ NR4A2 P43354 1/20 0.34
▸ F7 P08709 1/20 0.33
▸ F3 P13726 1/20 0.33
▸ DYRK1A Q13627 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ PDE10A Q9Y233 1/20 0.33
▸ PIK3CG P48736 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
SCHEMBL18463880 0.87 NR4A2 (0.43) HTR3AHRH3ALDH1A1NR4A2F7
SCHEMBL22330373 0.85 HTR3A (0.45) HTR3AHRH4BACE1HRH3CYP2A6
SCHEMBL26167592 0.82 HTR3A (0.43) HTR3AHRH4BACE1HRH3CYP2A6
SCHEMBL10824101 0.79 HTR3A (0.42) HTR3AHRH4BACE1HRH3CYP2A6
SCHEMBL18463883 0.79 BACE1 (0.50) BACE1CYP2A6ALDH1A1PDE3BPDE3A
SCHEMBL30106726 0.78 NT5E (0.45) HTR3AHRH4BACE1HRH3CYP2A6
SCHEMBL25962423 0.78 NT5E (0.45) HTR3AHRH4BACE1HRH3CYP2A6
SCHEMBL18463780 0.76 HRH4 (0.46) HTR3AHRH4ALDH1A1NR4A2F7
SCHEMBL18463972 0.76 FGFR3 (0.44) HRH4ALDH1A1NR4A2F7F3
SCHEMBL20580625 0.75 HTR3A (0.40) HTR3AHRH4BACE1HRH3CYP2A6

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 HTR3A 866/4885HRH4 3749/4885BACE1 1738/4885
US-10633338-B2 Binding Function 3 (BF3) site compounds as therapeutics and methods for their use KLK3, SHBG, ACP3 HTR3A 866/4885HRH4 3749/4885BACE1 1738/4885
US-10351527-B2 Binding function 3 (BF3) site compounds as therapeutics and methods for their use KLK3, SHBG, ACP3 HTR3A 866/4885HRH4 3749/4885BACE1 1738/4885
US-20210024464-A1 BINDING FUNCTION 3 (BF3) SITE COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE KLK3, SHBG, ACP3 HTR3A 866/4885HRH4 3749/4885BACE1 1738/4885
US-20170029372-A1 BINDING FUNCTION 3 (BF3) SITE COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE KLK3, SHBG, ACP3 HTR3A 866/4885HRH4 3749/4885BACE1 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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