SCHEMBL21341020

SCHEMBL21341020

COc1ccc(-c2cc3cc(C(C)(C)C)cc4cc(-c5ccc(OC)cc5)c5c6ccc(C(C)(C)C)cc6cc2c5c34)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACACA Q13085 1/20 0.36
▸ ACHE P22303 4/20 0.36
▸ NT5E P21589 1/20 0.36
▸ MAOB P27338 1/20 0.34
▸ NOD2 Q9HC29 1/20 0.33
▸ BTK Q06187 1/20 0.33
▸ GRM2 Q14416 1/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ ABCB1 P08183 1/20 0.33
▸ BCR P11274 1/20 0.33
▸ CASR P41180 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ GRIN2C Q14957 1/20 0.33
▸ AURKA O14965 1/20 0.33
▸ AURKB Q96GD4 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ GRK6 P43250 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ GFER P55789 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
SCHEMBL22911581 0.90 ACACA (0.39) ACACAACHENT5EMAOBNOD2
SCHEMBL18088203 0.85 ACACA (0.41) ACACAACHENT5EMAOBNOD2
SCHEMBL21340609 0.83 ABCG2 (0.41) ACACAABL1ABCB1BCRMAPT
SCHEMBL21340663 0.81 ACACA (0.34) ACACAACHENT5EGRM2ABL1
SCHEMBL21341022 0.79 LMNA (0.36) ALDH1A1LMNAALOX15HSD17B10TDP1
SCHEMBL29943243 0.78 ENPP1 (0.39) ACACANT5EMAOBGRM2ABL1
SCHEMBL22911580 0.78 NT5E (0.33) ACACANT5EAURKAAURKB
SCHEMBL21340611 0.77 MEN1 (0.37) NOD2ABL1ABCB1BCRMAPT
SCHEMBL21341017 0.76 LMNA (0.32) GRM2POLBGAAALDH1A1LMNA
SCHEMBL22911520 0.72 CA1 (0.31) —

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-20210017110-A1 POLYCYCLIC AROMATIC COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME Board of Regents of the Nevada System Higher Education, on behalf of the University of Nevada, Reno (US) 2021-01-21 — — US disclosed
WO-2019173243-A1 POLYCYCLIC AROMATIC COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION, ON BEHALF OF THE UNIVERSITY OF NEVADA, RENO (US) 2019-09-12 — — WO 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-20210017110-A1 POLYCYCLIC AROMATIC COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME AHR, PAH, ALKBH3 ACACA 559/4885ACHE 360/4885NT5E 283/4885

“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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