SCHEMBL658579

SCHEMBL658579

O=C(/C=C/c1ccccc1)c1ccc(C(F)(F)F)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 13/20 1.00
CYP1A1 P04798 7/20 1.00
MAOB P27338 7/20 1.00
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
MEN1 O00255 1/20 0.65
ALDH2 P05091 1/20 0.65
CYP3A4 P08684 1/20 0.65
HSPD1 P10809 1/20 0.65
CYP19A1 P11511 1/20 0.65
F3 P13726 1/20 0.65
MAOA P21397 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
SCHEMBL658580 1.00 CYP1B1 (1.00) CYP1B1CYP1A1MAOBP4HBMAPT
SCHEMBL657573 0.93 MAOB (0.88) CYP1B1CYP1A1MAOBP4HBMAPT
SCHEMBL11797187 0.93 MAOB (0.88) CYP1B1CYP1A1MAOBP4HBMAPT
SCHEMBL657574 0.93 MAOB (0.88) CYP1B1CYP1A1MAOBP4HBMAPT
SCHEMBL11816722 0.91 CYP1A1 (0.87) CYP1B1CYP1A1MAOBP4HBMAPT
SCHEMBL11816718 0.91 CYP1A1 (0.87) CYP1B1CYP1A1MAOBP4HBMAPT
Hydrochloric Acid SCHEMBL11819375 0.90 CYP1A1 (0.84) CYP1B1CYP1A1MAOBP4HBMAPT
Bromide SCHEMBL11817521 0.90 CYP1A1 (0.84) CYP1B1CYP1A1MAOBP4HBMAPT
Bromide SCHEMBL11817515 0.90 CYP1A1 (0.84) CYP1B1CYP1A1MAOBP4HBMAPT
Hydrochloric Acid SCHEMBL11819369 0.90 CYP1A1 (0.84) CYP1B1CYP1A1MAOBP4HBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119192224-A Alpha, beta-unsaturated ketone cyano silanization method and application 哈尔滨理工大学 2024-12-27 CN claimed
CN-111233645-A Method for preparing tri-substituted cyclopentene by MBH/Wittig domino reaction of vinylon insertion 浙江大学 2020-06-05 CN claimed
CN-119192224-A Alpha, beta-unsaturated ketone cyano silanization method and application 哈尔滨理工大学 2024-12-27 CN disclosed
CN-116284114-A Method for synthesizing chiral 1, 3-phosphine alcohol 陕西师范大学 2023-06-23 CN disclosed
CN-111233645-A Method for preparing tri-substituted cyclopentene by MBH/Wittig domino reaction of vinylon insertion 浙江大学 2020-06-05 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
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

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-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS AURKC, AURKA, AURKB CYP1B1 4714/4885CYP1A1 4763/4885MAOB 4512/4885

“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.