SCHEMBL96815

SCHEMBL96815

O=Cc1ccccc1OC(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
HPGD P15428 1/20 0.55
HTT P42858 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
LMNA P02545 3/20 0.52
KMT2A Q03164 2/20 0.52
GAA P10253 2/20 0.52
SRC P12931 2/20 0.48
MEN1 O00255 1/20 0.48
THRB P10828 1/20 0.48
BLM P54132 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
PTGDR2 Q9Y5Y4 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
NPSR1 Q6W5P4 1/20 0.44
PTGES2 Q9H7Z7 1/20 0.43
TLR2 O60603 1/20 0.40
ERN1 O75460 1/20 0.40

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
Formaldehyde SCHEMBL27526817 0.96 ALDH1A1 (0.52) ALDH1A1HPGDHTTSMN1; SMN2LMNA
Ethylene SCHEMBL27581062 0.96 ALDH1A1 (0.52) ALDH1A1HPGDHTTSMN1; SMN2LMNA
SCHEMBL27418721 0.91 ALDH1A1 (0.47) ALDH1A1HPGDHTTSMN1; SMN2LMNA
Bicarbonate SCHEMBL8522797 0.89 PTGDR2 (0.46) ALDH1A1HPGDHTTSMN1; SMN2LMNA
Bicarbonate SCHEMBL8522798 0.89 PTGDR2 (0.46) ALDH1A1HPGDHTTSMN1; SMN2LMNA
Trifluoroacetic Acid SCHEMBL31133438 0.89 PTGDR2 (0.50) ALDH1A1HPGDHTTSMN1; SMN2LMNA
SCHEMBL6535970 0.85 ALDH1A1 (0.44) ALDH1A1HPGDHTTSMN1; SMN2LMNA
SCHEMBL1201116 0.84 ALDH1A1 (0.52) ALDH1A1HPGDHTTSMN1; SMN2LMNA
SCHEMBL16470387 0.82 SRC (0.41) ALDH1A1HPGDHTTSMN1; SMN2LMNA
SCHEMBL2378923 0.82 ALDH1A1 (0.50) ALDH1A1HPGDHTTSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113164459-B Monoacylglycerol lipase modulators 詹森药业有限公司 2024-09-03 CN claimed
CN-115160154-A Preparation method of diamine monomer with side group containing isopropyl structure and polyimide polymer thereof 大连理工大学盘锦产业技术研究院 2022-10-11 CN claimed
CN-115093410-A Preparation method of beta-carboline compound 南京工业大学 2022-09-23 CN claimed
US-20190330192-A1 SUBSTITUTED AZOLYLPYRROLONES AND AZOLYLHYDANTOINS AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 2019-10-31 US claimed
CN-102781942-B Octahydro pyrrolo-[3,4-c] pyrroles is replaced as two of orexin receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2015-09-23 CN claimed
CN-102781942-A Disubstituted octahy-dropyrrolo [3,4-c]pyrroles as orexin receptor modulators JANSSEN PHARMACEUTICA NV 2012-11-14 CN claimed
CN-102149379-A Methods of modulating hepatocyte growth factor (scatter factor) activity and small molecule modulator compositions of hepatocyte growth factor (scatter factor) activity ANGION BIOMEDICA CORP 2011-08-10 CN claimed
WO-2010124055-A1 2-ALKYL PIPERIDINE MGLUR5 RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. (US) 2010-10-28 WO claimed
US-20070219266-A1 N-Acylated-3-(Benzoyl)-Pyrrolidines as 11-Beta-HSD1 Inhibitors Useful for the Treatment of Metabolic Disorders ASTRAZENECA AB (SE) 2007-09-20 US claimed
US-20070112000-A1 Chemical compounds ASTRAZENECA R&D ALDERLEY (GB) 2007-05-17 US claimed
EP-1684757-A1 SUBSTITUTED PIPERIDINES FOR THE TREATMENT OF METABOLIC SYNDROME AstraZeneca AB (SE) 2006-08-02 EP claimed
US-6967197-B2 Thiazepinyl hydroxamic acid derivatives as matrix metalloproteinase inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-11-22 US claimed
WO-2005046685-A1 SUBSTITUTED PIPERIDINES FOR THE TREATMENT OF METABOLIC SYNDROME ASTRAZENECA AB (SE) 2005-05-26 WO claimed
WO-2005047250-A1 N-ACYLATED-3- (BENZOYL) - PYRROLIDINES AS 11-BETA-HSD1 INHIBITORS USEFUL FOR THE TREATMENT OF METABOLIC DISORDERS. ASTRAZENECA AB (SE) 2005-05-26 WO claimed
US-20030134849-A1 Thiazepinyl hydroxamic acid derivatives as matrix metalloproteinase inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-07-17 US claimed
WO-2003018019-A2 NEW USE OF CYCLIC COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-06 WO claimed
EP-1259499-A1 THIAZEPINYL HYDROXAMIC ACID DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-27 EP claimed
WO-2001060808-A1 THIAZEPINYL HYDROXAMIC ACID DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-08-23 WO claimed
EP-0092627-B1 PROCESS FOR THE PREPARATION OF DI- OR TRIFLUOROMETHOXYPHENYL KETONES OR OF DI- OR TRIFLUOROMETHYLTHIOPHENYL KETONES RHONE-POULENC CHIMIE (FR) 1985-05-29 EP claimed
US-4438043-A Process for preparation of di- or trifluoromethoxyphenyl ketones or di- or trifluoromethylthiophenyl ketones RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1984-03-20 US claimed

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-20070219266-A1 N-Acylated-3-(Benzoyl)-Pyrrolidines as 11-Beta-HSD1 Inhibitors Useful for the Treatment of Metabolic Disorders HSD11B1, HSD3B1, HSD17B1 ALDH1A1 76/4885HPGD 39/4885HTT 1452/4885
US-20070112000-A1 Chemical compounds HSD11B1, CYP11B1, HSD11B2 ALDH1A1 68/4885HPGD 83/4885HTT 2342/4885
US-20030134849-A1 Thiazepinyl hydroxamic acid derivatives as matrix metalloproteinase inhibitors MMP9, MMP1, MMP3 ALDH1A1 543/4885HPGD 107/4885HTT 2364/4885
US-20190330192-A1 SUBSTITUTED AZOLYLPYRROLONES AND AZOLYLHYDANTOINS AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES AGPS, AASDHPPT, HPD ALDH1A1 215/4885HPGD 709/4885HTT 1982/4885

“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.