Sugi Predict

Sugi Predict / Compounds / SCHEMBL657574

SCHEMBL657574

SCHEMBL657574

O=C(C=Cc1ccc(C(F)(F)F)cc1)c1ccccc1

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 8/20 0.88
▸ CYP1B1 Q16678 7/20 0.88
▸ CYP1A1 P04798 6/20 0.88
▸ P4HB P07237 2/20 0.74
▸ MAPT P10636 2/20 0.68
▸ PLIN1 O60240 1/20 0.68
▸ LMNA P02545 1/20 0.68
▸ BCHE P06276 1/20 0.68
▸ TNFRSF1A P19438 1/20 0.68
▸ ACHE P22303 1/20 0.68
▸ RECQL P46063 1/20 0.68
▸ PLIN5 Q00G26 1/20 0.68
▸ ABHD5 Q8WTS1 1/20 0.68
▸ CYP3A4 P08684 2/20 0.65
▸ HSPD1 P10809 1/20 0.65
▸ PKM P14618 1/20 0.65
▸ NFKB1 P19838 1/20 0.65
▸ RAB9A P51151 1/20 0.65
▸ HSPE1 P61604 1/20 0.65
▸ NFKB2 Q00653 1/20 0.65

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
SCHEMBL11797187 1.00 MAOB (0.88) MAOBCYP1B1CYP1A1P4HBMAPT
SCHEMBL657573 1.00 MAOB (0.88) MAOBCYP1B1CYP1A1P4HBMAPT
SCHEMBL658580 0.93 CYP1B1 (1.00) MAOBCYP1B1CYP1A1P4HBMAPT
SCHEMBL658579 0.93 CYP1B1 (1.00) MAOBCYP1B1CYP1A1P4HBMAPT
SCHEMBL11816718 0.91 CYP1A1 (0.87) MAOBCYP1B1CYP1A1P4HBMAPT
SCHEMBL11816722 0.91 CYP1A1 (0.87) MAOBCYP1B1CYP1A1P4HBMAPT
Hydrochloric Acid SCHEMBL11819375 0.90 CYP1A1 (0.84) MAOBCYP1B1CYP1A1P4HBMAPT
Bromide SCHEMBL11817521 0.90 CYP1A1 (0.84) MAOBCYP1B1CYP1A1P4HBMAPT
Bromide SCHEMBL11817515 0.90 CYP1A1 (0.84) MAOBCYP1B1CYP1A1P4HBMAPT
Hydrochloric Acid SCHEMBL11819369 0.90 CYP1A1 (0.84) MAOBCYP1B1CYP1A1P4HBMAPT

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104030984-B A kind of preparation method of pyrazole derivatives 甘肃农业大学 2016-07-13 — — CN claimed
CN-104030984-A Method for preparing pyrazole derivative UNIV NORTHWEST NORMAL 2014-09-10 — — CN claimed
CN-119059949-A Two-dimensional perovskite and preparation method and application thereof 中山大学 2024-12-03 — — CN disclosed
CN-113457736-B Application of chitosan/cellulose composite microsphere immobilized copper in catalyzing silicon addition reaction of alpha, beta-unsaturated carbonyl compound 湖北工程学院 2023-09-15 — — CN disclosed
US-11661407-B2 Process for the preparation of pyrylium salts COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2023-05-30 — — US disclosed
US-20210087158-A1 A PROCESS FOR THE PREPARATION OF PYRYLIUM SALTS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2021-03-25 — — US disclosed
CN-105524110-B A kind of synthetic method of the haloalkyl alcohol ester of alkene 中国科学院大连化学物理研究所 2019-02-19 — — CN disclosed
CN-104030984-B A kind of preparation method of pyrazole derivatives 甘肃农业大学 2016-07-13 — — CN disclosed
CN-105524110-A Synthesis method of halogenated alkoxyl alcohol ester of olefin DALIAN INST CHEMICAL PHYSICS CAS 2016-04-27 — — CN disclosed
EP-2349999-B1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIV SAARLAND (DE) 2016-01-27 — — EP disclosed
US-8912186-B2 Allosteric protein kinase modulators UNIVERSITAET DES SAARLANDES (DE) 2014-12-16 — — US disclosed
US-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2012-02-23 — — US disclosed
EP-2349999-A1 ALLOSTERIC PROTEIN KINASE MODULATORS Universität des Saarlandes (DE) 2011-08-03 — — EP disclosed
WO-2010043711-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2010-04-22 — — WO disclosed
EP-2177510-A1 Allosteric protein kinase modulators Universität des Saarlandes (DE) 2010-04-21 — — EP disclosed
US-5492915-A ANTIINFLAMMATORY AGENTS RHONE-POULENC RORER S.A. (FR) 1996-02-20 — — US disclosed
US-5366982-A Antiinflammatory agents or antihistamines RHONE-POULENC RORER S.A. (FR) 1994-11-22 — — US disclosed
EP-0540604-A1 SUBSTITUTED BICYCLIC BIS-ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B 4? ANTAGONIST ACTIVITY, THEIR PREPARATION AND USE IN PHARMACEUTICAL COMPOSITIONS Aventis Pharma S.A. (FR) 1993-05-12 — — EP disclosed
WO-1992001675-A2 SUBSTITUTED BICYCLIC BIS-ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B4 ANTAGONIST ACTIVITY, THEIR PREPARATION AND USE IN PHARMACEUTICAL COMPOSITIONS RHONE-POULENC RORER S.A. (FR) 1992-02-06 — — WO disclosed
US-3989708-A HYPOTENSIVE, CORONARY VESSEL DILATORS BAYER AKTIENGESELLSCHAFT (DT) 1976-11-02 — — 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-20210087158-A1 A PROCESS FOR THE PREPARATION OF PYRYLIUM SALTS IPO5, SF3B5, CYP4F11 MAOB 2307/4885CYP1B1 110/4885CYP1A1 275/4885
US-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS AURKC, AURKA, AURKB MAOB 4512/4885CYP1B1 4714/4885CYP1A1 4763/4885
US-11661407-B2 Process for the preparation of pyrylium salts SF3B5, IPO5, CYP4F11 MAOB 2613/4885CYP1B1 139/4885CYP1A1 337/4885

“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.