SCHEMBL26020163

SCHEMBL26020163

CC(C)(C)c1ccc(C2CC2)cc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLQ O75417 1/20 0.43
HTR2A P28223 1/20 0.42
KDM1A O60341 1/20 0.38
HTR2C P28335 4/20 0.37
PDK2 Q15119 1/20 0.36
AR P10275 3/20 0.34
NOTUM Q6P988 2/20 0.34
DRD2 P14416 1/20 0.34
DHODH Q02127 1/20 0.33

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
SCHEMBL3434595 0.79 POLQ (0.47) POLQHTR2AKDM1AHTR2CPDK2
SCHEMBL17030738 0.79 MGLL (0.40) POLQHTR2AKDM1AHTR2CPDK2
SCHEMBL12556951 0.79 KDM1A (0.42) POLQHTR2AKDM1AHTR2CPDK2
SCHEMBL13256367 0.79 HTR2A (0.43) POLQHTR2AKDM1AHTR2CPDK2
SCHEMBL18162314 0.79 POLQ (0.47) POLQHTR2AKDM1AHTR2CPDK2
SCHEMBL18161909 0.77 KDM1A (0.43) POLQHTR2AKDM1AHTR2CPDK2
SCHEMBL28294833 0.77 KDM1A (0.43) POLQHTR2AKDM1AHTR2CPDK2
SCHEMBL26020142 0.77 SSTR4 (0.35) HTR2AHTR2CPDK2
SCHEMBL13838866 0.77 KDM1A (0.61) POLQHTR2AKDM1AHTR2CPDK2
SCHEMBL3719147 0.76 HTR2C (0.61) HTR2AHTR2C

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-20230257382-A1 HETEROCYCLIC COMPOUND AND USE THEREOF WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2023-08-17 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-20230257382-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TRPC5, TRPC1, GOT1 POLQ 4151/4885HTR2A 1054/4885KDM1A 4708/4885

“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.