SCHEMBL7055657

SCHEMBL7055657

COC(=O)c1cccc(OC(F)(F)F)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.63
TAS1R3 Q7RTX0 1/20 0.54
TAS1R1 Q7RTX1 1/20 0.54
TAS1R2 Q8TE23 1/20 0.54
TP53 P04637 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
KAT6A Q92794 3/20 0.53
GPR139 Q6DWJ6 1/20 0.53
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
HDAC8 Q9BY41 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
TSHR P16473 1/20 0.50
LOXL2 Q9Y4K0 1/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
PKM P14618 1/20 0.50
HPGD P15428 1/20 0.50
MAPK1 P28482 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL27425788 0.92 MRGPRX4 (0.56) MRGPRX4TAS1R3TAS1R1TAS1R2TP53
SCHEMBL7468439 0.91 MRGPRX4 (0.55) MRGPRX4TAS1R3TAS1R1TAS1R2TP53
SCHEMBL5328114 0.87 MRGPRX4 (0.51) MRGPRX4TAS1R3TAS1R1TAS1R2TP53
SCHEMBL4035515 0.87 MAPT (0.56) MRGPRX4TP53SMN1; SMN2GPR139NPC1
SCHEMBL23518951 0.87 NOTUM (0.59) MRGPRX4TAS1R3TAS1R1TAS1R2TP53
SCHEMBL23343631 0.86 SMN1; SMN2 (0.54) MRGPRX4TP53SMN1; SMN2NPC1RAB9A
SCHEMBL7842792 0.85 SMN1; SMN2 (0.52) MRGPRX4TP53SMN1; SMN2NPC1RAB9A
SCHEMBL29742938 0.84 MAOB (0.55) TAS1R3TAS1R1TAS1R2TP53KAT6A
SCHEMBL697586 0.84 MAOB (0.55) TAS1R3TAS1R1TAS1R2TP53KAT6A
SCHEMBL30184372 0.84 TAS1R3 (0.56) MRGPRX4TAS1R3TAS1R1TAS1R2KAT6A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118076607-A Novel PLK1 degradation inducing compounds 厄普特拉株式会社 2024-05-24 CN disclosed
US-11760701-B2 Difluoromethoxylation and trifluoromethoxylation compositions and methods for synthesizing same THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YROK (US) 2023-09-19 US disclosed
WO-2023097386-A1 SELECTIVE HDAC6-INHIBITING N-ACYLHYDRAZONE COMPOUNDS, METHODS FOR PRODUCING SAME, COMPOSITIONS, USES, TREATMENT METHODS AND KITS EUROFARMA LABORATÓRIOS S.A (BR) 2023-06-08 WO disclosed
WO-2023097386-A1 SELECTIVE HDAC6-INHIBITING N-ACYLHYDRAZONE COMPOUNDS, METHODS FOR PRODUCING SAME, COMPOSITIONS, USES, TREATMENT METHODS AND KITS EUROFARMA LABORATÓRIOS S.A (BR) 2023-06-08 WO disclosed
CN-116018344-A Pesticidally active heterocyclic derivatives with sulfur containing substituents 先正达农作物保护股份公司 2023-04-25 CN disclosed
US-20220372033-A1 ANTIBACTERIAL COMPOUNDS Janssen Sciences Ireland Unlimited Company (IE) 2022-11-24 US disclosed
CN-115023426-A Pesticidally active heterocyclic derivatives with sulfur-containing substituents 先正达农作物保护股份公司 2022-09-06 CN disclosed
CN-113811532-A Pesticidally active heterocyclic derivatives with sulfur-containing substituents 先正达农作物保护股份公司 2021-12-17 CN disclosed
WO-2021063915-A1 ANTIBACTERIAL COMPOUNDS Janssen Sciences Ireland Unlimited Company (IE) 2021-04-08 WO disclosed
US-20210032181-A1 DIFLUOROMETHOXYLATION AND TRIFLUOROMETHOXYLATION COMPOSITIONS AND METHODS FOR SYNTHESIZING SAME THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2021-02-04 US disclosed
CN-107793413-A Pyrimidine heterocyclic compound and its preparation method and application 天津滨江药物研发有限公司 2018-03-13 CN disclosed
CN-105061350-A Selective sphingosine 1 phosphate receptor modulators and methods of chiral synthesis RECEPTOS INC 2015-11-18 CN disclosed
CN-102762100-B Selective sphingosine-1-phosphate receptor modulators and chiral synthesis methods RECEPTOS INC 2015-07-01 CN disclosed
US-20030119816-A1 Flavone derivatives, preparation method and use as medicines AVENTIS PHARMA S.A. (FR) 2003-06-26 US disclosed
EP-0634404-A1 Phtalazin derivatives and their use as pesticides RHONE POULENC AGRICULTURE LTD. (GB) 1995-01-18 EP 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 (4 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-20220372033-A1 ANTIBACTERIAL COMPOUNDS NDUFS3, SQOR, MT-ND4 MRGPRX4 2637/4885TAS1R3 3444/4885TAS1R1 3073/4885
US-20030119816-A1 Flavone derivatives, preparation method and use as medicines REN, CYP2F1, CYP3A43 MRGPRX4 803/4885TAS1R3 2676/4885TAS1R1 2283/4885
US-20210032181-A1 DIFLUOROMETHOXYLATION AND TRIFLUOROMETHOXYLATION COMPOSITIONS AND METHODS FOR SYNTHESIZING SAME AFF2, AFF4, AFF1 MRGPRX4 3438/4885TAS1R3 4295/4885TAS1R1 4348/4885
US-11760701-B2 Difluoromethoxylation and trifluoromethoxylation compositions and methods for synthesizing same AFF2, AFF4, AFF1 MRGPRX4 3438/4885TAS1R3 4295/4885TAS1R1 4348/4885

“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.