SCHEMBL21034795

SCHEMBL21034795

CC(C)(C)c1ccc(CCCc2ccc(C(C)(C)C)c(O)c2)cc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 10/20 0.52
IGF1R P08069 7/20 0.52
ALDH1A1 P00352 4/20 0.48
MAPT P10636 3/20 0.48
KDM4E B2RXH2 2/20 0.48
CYP1A2 P05177 2/20 0.48
ATP2A2 P16615 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ATP2A3 Q93084 1/20 0.48
SLC28A3 Q9HAS3 1/20 0.44
TSHR P16473 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
HTT P42858 2/20 0.42
MAPK1 P28482 2/20 0.42
NPC1 O15118 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 2/20 0.41
NR1I2 O75469 1/20 0.41

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
SCHEMBL21034788 0.96 ALOX15 (0.57) ALOX15IGF1RALDH1A1MAPTKDM4E
SCHEMBL21002247 0.94 ALOX15 (0.55) ALOX15IGF1RALDH1A1MAPTKDM4E
SCHEMBL21034647 0.92 ALDH1A1 (0.52) ALOX15IGF1RALDH1A1MAPTKDM4E
SCHEMBL5166701 0.91 NPC1 (0.56) ALOX15IGF1RALDH1A1MAPTKDM4E
SCHEMBL10067474 0.88 PPARA (0.56) ALOX15IGF1RALDH1A1KDM4EHSD17B10
SCHEMBL30342268 0.88 PPARA (0.56) ALOX15IGF1RALDH1A1KDM4EHSD17B10
SCHEMBL5167973 0.86 CNR1 (0.55) ALOX15IGF1RALDH1A1MAPTKDM4E
SCHEMBL9246524 0.84 ALOX15 (0.55) ALOX15IGF1RALDH1A1MAPTKDM4E
SCHEMBL21034774 0.83 CA2 (0.54) ALOX15ALDH1A1MAPTKDM4ECYP1A2
SCHEMBL6949592 0.82 RXFP1 (0.50) ALOX15IGF1RALDH1A1MAPTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200375949-A1 BISPHENOL COMPOUNDS TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2020-12-03 US disclosed
US-20200375949-A1 BISPHENOL COMPOUNDS TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2020-12-03 US disclosed
WO-2019104153-A1 BISPHENOL COMPOUNDS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2019-05-31 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-20200375949-A1 BISPHENOL COMPOUNDS RPP30, RPS10, RPS20 ALOX15 2231/4885IGF1R 1859/4885ALDH1A1 1053/4885

“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.