SCHEMBL21035191

SCHEMBL21035191

CC(C)(C)c1ccc(-c2ccc(C(C)(C)C)c(O)c2)cc1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.59
ALOX15 P16050 6/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
CYP1A2 P05177 2/20 0.59
KDM4E B2RXH2 1/20 0.59
MAPT P10636 1/20 0.59
ATP2A2 P16615 1/20 0.59
ATP2A3 Q93084 1/20 0.59
TDP1 Q9NUW8 3/20 0.52
TSHR P16473 2/20 0.52
HSD17B10 Q99714 3/20 0.48
TYR P14679 2/20 0.48
LMNA P02545 2/20 0.48
CYP2C9 P11712 2/20 0.48
NR1I2 O75469 1/20 0.48
MIF P14174 1/20 0.48
HTT P42858 1/20 0.48
NFE2L2 Q16236 1/20 0.48
CA2 P00918 3/20 0.48
CA1 P00915 1/20 0.48

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
SCHEMBL5193876 0.89 ALDH1A1 (0.48) ALDH1A1ALOX15SMN1; SMN2CYP1A2KDM4E
SCHEMBL6878804 0.89 ALOX5 (0.57) ALDH1A1ALOX15SMN1; SMN2CYP1A2KDM4E
SCHEMBL7077598 0.89 ALDH1A1 (0.48) ALDH1A1ALOX15SMN1; SMN2CYP1A2KDM4E
SCHEMBL6881273 0.84 ALDH1A1 (0.43) ALDH1A1ALOX15SMN1; SMN2CYP1A2KDM4E
SCHEMBL15889361 0.82 PIM1 (0.44) ALDH1A1ALOX15SMN1; SMN2CYP1A2KDM4E
SCHEMBL25065125 0.80 NOTUM (0.47) ALDH1A1ALOX15SMN1; SMN2CYP1A2KDM4E
SCHEMBL12733344 0.80 KIF11 (0.46) ALDH1A1MAPTTDP1TSHRAPP
SCHEMBL1176397 0.80 ALDH1A1 (0.67) ALDH1A1ALOX15SMN1; SMN2CYP1A2KDM4E
SCHEMBL180815 0.80 ALDH1A1 (0.59) ALDH1A1ALOX15SMN1; SMN2CYP1A2KDM4E
SCHEMBL31146788 0.80 ALDH1A1 (0.67) ALDH1A1ALOX15SMN1; SMN2CYP1A2KDM4E

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 ALDH1A1 1053/4885ALOX15 2231/4885SMN1; SMN2 4506/4885

“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.