SCHEMBL22623913

SCHEMBL22623913

CC(CCC(C)c1cc2ccccc2[nH]c1=O)c1nc2ccccc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDGFRB P09619 1/20 0.48
▸ FGFR1 P11362 1/20 0.48
▸ KDR P35968 1/20 0.48
▸ TAAR1 Q96RJ0 1/20 0.45
▸ KDM4E B2RXH2 6/20 0.45
▸ KMT2A Q03164 2/20 0.43
▸ ALDH1A1 P00352 6/20 0.43
▸ HPGD P15428 4/20 0.43
▸ HSD17B10 Q99714 3/20 0.43
▸ IDO1 P14902 1/20 0.42
▸ BRD4 O60885 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ GAA P10253 2/20 0.42
▸ PLAUR Q03405 1/20 0.41
▸ MLKL Q8NB16 1/20 0.41
▸ ALOX12 P18054 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL6756155 0.78 TAAR1 (0.56) TAAR1KMT2AALDH1A1IDO1POLB
SCHEMBL20621731 0.77 BRD4 (0.53) PDGFRBFGFR1KDRKDM4EALDH1A1
SCHEMBL6753938 0.76 ALDH1A1 (0.60) TAAR1KMT2AALDH1A1IDO1POLB
SCHEMBL29405275 0.74 ALDH1A1 (0.55) TAAR1KMT2AALDH1A1IDO1POLB
SCHEMBL2679996 0.74 ALDH1A1 (0.55) TAAR1KMT2AALDH1A1IDO1POLB
SCHEMBL24820635 0.74 TAAR1 (0.52) TAAR1KMT2AALDH1A1IDO1POLB
SCHEMBL7098832 0.74 IDO1 (0.57) TAAR1KMT2AALDH1A1IDO1POLB
SCHEMBL15085764 0.74 TAAR1 (0.55) TAAR1KMT2AALDH1A1IDO1POLB
SCHEMBL5476505 0.73 KDM4E (0.45) KDM4EALDH1A1HPGDHSD17B10BRD4
SCHEMBL10696885 0.73 ALDH1A1 (0.54) TAAR1KMT2AALDH1A1IDO1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200347045-A1 CRBN LIGANDS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2020-11-05 — — 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-20200347045-A1 CRBN LIGANDS AND USES THEREOF CRBN, CRKL, ERBB3 PDGFRB 866/4885FGFR1 1997/4885KDR 424/4885

“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.

Send feedback