SCHEMBL3239288

SCHEMBL3239288

C=CCC(O)CCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.45
MMP13 P45452 2/20 0.45
MMP12 P39900 2/20 0.45
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
MMP14 P50281 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.42
CYP2C19 P33261 1/20 0.42
ANPEP P15144 2/20 0.41
ERAP1 Q9NZ08 2/20 0.41
ERAP2 Q6P179 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
MAPT P10636 1/20 0.40
ACP3 P15309 1/20 0.40
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
KCNH2 Q12809 1/20 0.39

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
SCHEMBL252676 1.00 DPP4 (0.45) DPP4MMP13MMP12MMP2MMP9
SCHEMBL3904160 1.00 DPP4 (0.45) DPP4MMP13MMP12MMP2MMP9
SCHEMBL13841298 0.91 DPP4 (0.42) DPP4MMP13MMP12MMP2MMP9
SCHEMBL7092136 0.87 TRPA1 (0.53) MAPT
SCHEMBL9685330 0.86 TRPA1 (0.55) MAPT
SCHEMBL15944478 0.83 ESR1 (0.46) DPP4CYP2C19TDP1SLC6A2
SCHEMBL2690709 0.83 DPP4 (0.44) DPP4MMP13MMP12MMP2MMP9
SCHEMBL4799370 0.81 MMP2 (0.55) DPP4MMP13MMP12MMP2MMP9
SCHEMBL2369596 0.80 TRPA1 (0.44) SMN1; SMN2CYP2C19SLC6A2SLC6A4SLC6A3
SCHEMBL15184700 0.80 TRPA1 (0.44) SMN1; SMN2CYP2C19SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0045571-B1 PROCESS FOR THE PRODUCTION OF PHENYL SUBSTITUTED ALDEHYDES AND OF PHENYL SUBSTITUTED ALCOHOLS BUSH BOAKE ALLEN Limited (GB) 1985-06-26 EP claimed
EP-0045571-A1 Process for the production of phenyl substituted aldehydes and of phenyl substituted alcohols BUSH BOAKE ALLEN Limited (GB) 1982-02-10 EP claimed
US-20140031562-A1 Method for Forming Allylic Alcohols THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOI (US) 2014-01-30 US disclosed
US-20140031562-A1 Method for Forming Allylic Alcohols THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOI (US) 2014-01-30 US disclosed
WO-2010025366-A2 METHOD FOR FORMING ALLYLIC ALCOHOLS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2010-03-04 WO disclosed
WO-2010025366-A2 METHOD FOR FORMING ALLYLIC ALCOHOLS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2010-03-04 WO disclosed
US-7572928-B2 Fluorination process ISIS INNOVATION LIMITED (GB) 2009-08-11 US disclosed
US-7572928-B2 Fluorination process ISIS INNOVATION LIMITED (GB) 2009-08-11 US disclosed
US-7534905-B2 Reagents for asymmetric allylation, aldol, and tandem aldol and allyation reactions THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2009-05-19 US disclosed
US-7531533-B2 6-Membered heterocyclic compound and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-05-12 US disclosed
US-20070142632-A1 Fluorination process ISIS INNOVATION LIMITED (GB) 2007-06-21 US disclosed
US-20070142632-A1 Fluorination process ISIS INNOVATION LIMITED (GB) 2007-06-21 US disclosed
US-20070060590-A1 6-Membered heterocyclic compound and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2007-03-15 US disclosed
EP-1480988-A4 REAGENTS FOR ASYMMETRIC ALLYLATION, ALDOL, AND TANDEM ALDOL AND ALLYLATION REACTIONS UNIV COLUMBIA (US) 2006-03-29 EP disclosed
EP-1480988-A1 REAGENTS FOR ASYMMETRIC ALLYLATION, ALDOL, AND TANDEM ALDOL AND ALLYLATION REACTIONS The Trustees of Columbia University in the City of New York (US) 2004-12-01 EP disclosed
WO-2003074534-A1 REAGENTS FOR ASYMMETRIC ALLYLATION, ALDOL, AND TANDEM ALDOL AND ALLYLATION REACTIONS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2003-09-12 WO disclosed
US-6541659-B1 Reacting anhydride with active-hydrogen-containing compound in presence of vanadyl salt catalyst to obtain high yield of acyl substitution reaction product with high chemoselectivity NATIONAL TAIWAN NORMAL UNIVERSITY (TW) 2003-04-01 US disclosed
US-4983766-A Chemical intermediates for optically active secondary alcohols IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-01-08 US disclosed
US-4812476-A SECONDARY ALCOHOLS FROM ALDEHYDE AND 3-HYDROXYBUTYRIC ACID IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-03-14 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-20140031562-A1 Method for Forming Allylic Alcohols ADH1A, ADH1C, ADH5 DPP4 4772/4885MMP13 4543/4885MMP12 4790/4885
US-20070142632-A1 Fluorination process CYP2F1, SF3A2, SF3B2 DPP4 4090/4885MMP13 3189/4885MMP12 4348/4885
US-20070060590-A1 6-Membered heterocyclic compound and use thereof WNT1, CYP11B2, CYP11B1 DPP4 3825/4885MMP13 565/4885MMP12 684/4885

“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.