SCHEMBL22693261

SCHEMBL22693261

Oc1ccc2cc(-c3ccc(C(F)(F)F)cc3)ccc2c1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 11/20 0.67
ESR2 Q92731 11/20 0.67
KIF11 P52732 1/20 0.67
ABL1 P00519 2/20 0.57
ABCB1 P08183 2/20 0.57
BCR P11274 2/20 0.57
CYP3A4 P08684 2/20 0.55
HSD17B1 P14061 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2B6 P20813 1/20 0.55
CYP2C19 P33261 1/20 0.55
HSD17B2 P37059 1/20 0.55
CYP17A1 P05093 1/20 0.51
CYP11B1 P15538 1/20 0.51
CYP11B2 P19099 1/20 0.51
SLC6A2 P23975 1/20 0.49
P2RY14 Q15391 1/20 0.49

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
SCHEMBL26548146 0.88 KIF11 (0.58) ESR1ESR2KIF11SLC6A2P2RY14
SCHEMBL26548524 0.88 KIF11 (0.58) ESR1ESR2KIF11SLC6A2P2RY14
SCHEMBL4349886 0.87 ABL1 (0.60) ESR1ESR2KIF11ABL1ABCB1
SCHEMBL28269023 0.84 KIF11 (0.52) ESR1ESR2KIF11ABL1ABCB1
SCHEMBL22837264 0.84 KIF11 (0.54) ESR1ESR2KIF11SLC6A2P2RY14
SCHEMBL26548665 0.81 KIF11 (0.56) ESR1ESR2KIF11SLC6A2P2RY14
SCHEMBL26549008 0.81 KIF11 (0.56) ESR1ESR2KIF11SLC6A2P2RY14
SCHEMBL2699234 0.81 ESR1 (1.00) ESR1ESR2ABL1ABCB1BCR
SCHEMBL12675678 0.81 KIF11 (1.00) ESR1ESR2KIF11
SCHEMBL678508 0.81 KIF11 (1.00) ESR1ESR2KIF11

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-20230337527-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME LAPTO CO., LTD. (KR) 2023-10-19 US disclosed
US-10844163-B2 Functional spirocyclic polymers and methods of preparation thereof THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2020-11-24 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-20230337527-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME AOC1, ODC1, PIEZO1 ESR1 940/4885ESR2 1164/4885KIF11 3675/4885

“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.