SCHEMBL24061002

SCHEMBL24061002

CCC(CC)(c1ccccc1)c1ccc(C(C)(CC)n2c3ccccc3c3ccccc32)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.38
ESR2 Q92731 3/20 0.38
KIF11 P52732 1/20 0.33
GPR3 P46089 1/20 0.33
CYP19A1 P11511 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
KDM4E B2RXH2 4/20 0.32
ALDH1A1 P00352 2/20 0.32
AR P10275 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
ATM Q13315 1/20 0.32
VDR P11473 1/20 0.32
MAPK1 P28482 1/20 0.31
RCE1 Q9Y256 1/20 0.31
DNM1 Q05193 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31

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
SCHEMBL21534537 0.92 GPR3 (0.39) KIF11GPR3CYP19A1CYP1A2CYP2C19
SCHEMBL20287985 0.89 ALDH1A1 (0.42) ESR1ESR2KIF11GPR3CYP19A1
SCHEMBL24247977 0.88 KIF11 (0.33) KIF11GPR3CYP19A1CYP1A2CYP2C19
SCHEMBL17168475 0.77 KDM4E (0.42) KIF11CYP1A2CYP2C19KDM4EALDH1A1
SCHEMBL10100860 0.73 KDM4E (0.53) ESR1ESR2KIF11GPR3CYP1A2
SCHEMBL827345 0.73 ESR1 (0.56) ESR1ESR2ALDH1A1ARMAPK1
SCHEMBL19117371 0.73 GPR3 (0.40) KIF11GPR3CYP19A1CYP1A2CYP2C19
SCHEMBL14215108 0.70 CYP1A2 (0.48) GPR3CYP19A1CYP1A2CYP2C19KDM4E
SCHEMBL6468879 0.70 CYP1A2 (0.48) GPR3CYP19A1CYP1A2CYP2C19KDM4E
SCHEMBL13077280 0.70 GPR3 (0.44) GPR3CYP19A1CYP1A2CYP2C19KDM4E

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-20220048923-A1 LUMINOGENS FOR BIOLOGICAL APPLICATIONS THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2022-02-17 US disclosed
US-11186586-B2 Luminogens for biological applications THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2021-11-30 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 (2 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-20220048923-A1 LUMINOGENS FOR BIOLOGICAL APPLICATIONS BTD, TPD52L2, TTPA ESR1 3485/4885ESR2 3794/4885KIF11 1742/4885
US-11186586-B2 Luminogens for biological applications BTD, LTA, TPD52L2 ESR1 3424/4885ESR2 3860/4885KIF11 1790/4885

“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.