SCHEMBL20101690

SCHEMBL20101690

CC(C)c1ccc(-c2ccc(C(C)C)cc2N)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.53
▸ HTT P42858 2/20 0.53
▸ GAA P10253 2/20 0.53
▸ ALOX12 P18054 1/20 0.53
▸ HIF1A Q16665 1/20 0.53
▸ LMNA P02545 2/20 0.47
▸ NPC1 O15118 5/20 0.42
▸ RAB9A P51151 5/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ DGAT1 O75907 1/20 0.41
▸ MAPT P10636 3/20 0.39
▸ TP53 P04637 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ KIF11 P52732 1/20 0.38
▸ ERN1 O75460 1/20 0.37
▸ SCN4A P35499 1/20 0.37

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
SCHEMBL399011 0.79 ALDH1A1 (0.58) ALDH1A1HTTGAAALOX12HIF1A
SCHEMBL28865246 0.78 ALDH1A1 (0.44) ALDH1A1HTTGAAALOX12HIF1A
SCHEMBL7442456 0.77 ADRB2 (0.44) ALDH1A1HTTGAAALOX12HIF1A
SCHEMBL25898933 0.77 PTGS1 (0.57) ALDH1A1HTTGAAALOX12HIF1A
SCHEMBL8676137 0.77 LMNA (0.48) ALDH1A1HTTGAAALOX12HIF1A
SCHEMBL1406553 0.76 ALDH1A1 (0.42) ALDH1A1HTTGAAALOX12HIF1A
SCHEMBL15449352 0.76 ALDH1A1 (0.43) ALDH1A1HTTGAAALOX12HIF1A
SCHEMBL9261774 0.75 AKR1C3 (0.53) HIF1ALMNASMN1; SMN2HPGDMAPT
SCHEMBL741007 0.75 ALDH1A1 (0.64) ALDH1A1HTTGAAALOX12HIF1A
SCHEMBL29549360 0.75 ALDH1A1 (0.64) ALDH1A1HTTGAAALOX12HIF1A

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
WO-2018081672-A1 BIARYL LIGANDS FOR TRANSITION METAL-CATALYZED REACTIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-05-03 — — WO disclosed
US-20180117574-A1 BIARYL LIGANDS FOR TRANSITION METAL-CATALYZED REACTIONS UNIV CALIFORNIA (US) 2018-05-03 — — 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 (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-20180117574-A1 BIARYL LIGANDS FOR TRANSITION METAL-CATALYZED REACTIONS EPHA2, L1CAM, ERBB2 ALDH1A1 801/4885HTT 4829/4885GAA 2633/4885

“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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