Sugi Predict

Sugi Predict / Compounds / SCHEMBL20097441

SCHEMBL20097441

SCHEMBL20097441

Cc1ccc(CCc2c(F)cc(C)cc2F)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 3/20 0.38
▸ FFAR1 O14842 1/20 0.37
▸ FFAR4 Q5NUL3 1/20 0.37
▸ P2RX7 Q99572 1/20 0.37
▸ NFE2L2 Q16236 1/20 0.33
▸ KDM5A P29375 1/20 0.33
▸ KDM4C Q9H3R0 1/20 0.33
▸ KDM5B Q9UGL1 1/20 0.33
▸ NOS1 P29475 1/20 0.33
▸ DAO P14920 1/20 0.33
▸ AMY1A P0DUB6 1/20 0.32
▸ HSP90B1 P14625 3/20 0.32
▸ TRAP1 Q12931 3/20 0.32
▸ HSP90AA1 P07900 2/20 0.32
▸ HTR2A P28223 2/20 0.32
▸ HTR1D P28221 1/20 0.32

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
SCHEMBL20850067 0.91 HTR2A (0.36) TAAR1FFAR1FFAR4P2RX7DAO
SCHEMBL18590775 0.89 TAAR1 (0.45) TAAR1FFAR1FFAR4P2RX7NFE2L2
SCHEMBL19204657 0.82 TAAR1 (0.43) TAAR1NFE2L2NOS1DAOHTR1D
SCHEMBL24940563 0.82 TAAR1 (0.44) TAAR1FFAR1FFAR4P2RX7NFE2L2
SCHEMBL27465879 0.82 DAO (0.47) TAAR1NFE2L2DAOHTR2A
SCHEMBL19606542 0.81 TAAR1 (0.36) TAAR1FFAR1FFAR4P2RX7NOS1
SCHEMBL18851313 0.80 TAAR1 (0.47) TAAR1FFAR1FFAR4HSP90B1TRAP1
SCHEMBL18747046 0.80 HSP90B1 (0.31) P2RX7HSP90B1TRAP1HSP90AA1
SCHEMBL19335895 0.80 TAAR1 (0.48) TAAR1NFE2L2DAOHTR2A
SCHEMBL18531578 0.80 GRM2 (0.41) P2RX7KDM5AKDM4CKDM5B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220144850-A1 INDOLO HEPTAMYL OXIME ANALOGUE AS PARP INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2022-05-12 — — US disclosed
EP-3271440-B1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2021-04-21 — — EP disclosed
US-10351773-B2 Liquid crystal compounds of cycloalkyl-containing dibenzofuran derivatives, preparation method therefor and use thereof Shijiazhuang Chengzhi Yonghua Display Material Co., Ltd (CN) 2019-07-16 — — US disclosed
US-20180112132-A1 LIQUID CRYSTAL COMPOUNDS OF CYCLOALKYL-CONTAINING DIBENZOFURAN DERIVATIVES, PREPARATION METHOD THEREFOR AND USE THEREOF SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIAL CO.,LTD (CN) 2018-04-26 — — 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 (3 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-20180112132-A1 LIQUID CRYSTAL COMPOUNDS OF CYCLOALKYL-CONTAINING DIBENZOFURAN DERIVATIVES, PREPARATION METHOD THEREFOR AND USE THEREOF CYP4F11, WASF2, NOTUM TAAR1 4611/4885FFAR1 533/4885FFAR4 469/4885
US-10351773-B2 Liquid crystal compounds of cycloalkyl-containing dibenzofuran derivatives, preparation method therefor and use thereof CYP4F11, WASF2, NOTUM TAAR1 4611/4885FFAR1 533/4885FFAR4 469/4885
US-20220144850-A1 INDOLO HEPTAMYL OXIME ANALOGUE AS PARP INHIBITOR PARP1, PARP2, PARP3 TAAR1 3359/4885FFAR1 3233/4885FFAR4 4396/4885

“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.