SCHEMBL47935

SCHEMBL47935

CCCOC(=O)C1=CCC(=O)C=C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
LMNA P02545 2/20 0.42
ESR1 P03372 3/20 0.41
TSHR P16473 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
CHRM1 P11229 1/20 0.41
SLC6A2 P23975 1/20 0.41
KDR P35968 1/20 0.41
KDM4E B2RXH2 3/20 0.38
POLB P06746 1/20 0.38
STS P08842 1/20 0.38
MAOB P27338 2/20 0.38
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
HPGD P15428 1/20 0.34
AKR1C4 P17516 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
AKR1C1 Q04828 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL598039 0.98 ALDH1A1 (0.42) ALDH1A1LMNAESR1TSHRTDP1
SCHEMBL521940 0.90 ESR1 (0.46) ALDH1A1LMNAESR1TSHRTDP1
SCHEMBL3110549 0.90 SERPINE1 (0.37) TSHRTDP1
SCHEMBL9312179 0.88 ALDH1A1 (0.49) ALDH1A1LMNAESR1TSHRKDM4E
SCHEMBL659382 0.88 ALDH1A1 (0.49) ALDH1A1LMNAESR1TSHRKDM4E
SCHEMBL190524 0.88 ALDH1A1 (0.49) ALDH1A1LMNAESR1TSHRKDM4E
SCHEMBL1435298 0.80 ALDH1A1 (0.46) ALDH1A1LMNATSHRTDP1KDM4E
SCHEMBL48012 0.77 LMNA (0.37) ALDH1A1LMNATSHRTDP1CHRM1
SCHEMBL19304541 0.76 PRSS1 (0.49) ALDH1A1LMNAESR1TSHRTDP1
SCHEMBL2355854 0.75 CYP1A2 (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3520791-A1 NIFEDIPINE-BASED COMPOSITION FOR THE USE IN THE TREATMENT OF ANAL FISSURES AND PROCTALGYA, AND METHOD FOR ADMINISTRATION THEREOF Antropoli, Carmine (IT) 2019-08-07 EP claimed
EP-2393552-B1 A CYANOPYRIMIDINE DERIVATIVE OTSUKA PHARMA CO LTD (JP) 2017-12-20 EP claimed
US-9708292-B2 Cyanopyrimidine derivative OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-07-18 US claimed
EP-2253304-B1 Nifedipine-based compositions for anti-wrinkle treatments ANTROPOLI CARMINE (IT) 2015-11-11 EP claimed
US-20120022077-A1 NOVEL CYANOPYRIMIDINE DERIVATIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-01-26 US claimed
EP-2393552-A1 A NOVEL CYANOPYRIMIDINE DERIVATIVE Otsuka Pharmaceutical Co., Ltd. (JP) 2011-12-14 EP claimed
EP-2253304-A2 Nifedipine-based compositions for anti-wrinkle treatments Antropoli, Carmine (IT) 2010-11-24 EP claimed
WO-2010090299-A1 A NOVEL CYANOPYRIMIDINE DERIVATIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-12 WO claimed
EP-1558227-B1 INJECTABLE 2,6-DIISOPROPYLPHENOL-CONTAINING ANESTHETIC COMPOSITION AND METHODS DAEWON PHARM CO LTD (KR) 2006-10-04 EP claimed
EP-1558227-A1 INJECTABLE 2,6-DIISOPROPYLPHENOL-CONTAINING ANESTHETIC COMPOSITION AND METHODS Centurion, Inc. (KR) 2005-08-03 EP claimed
US-20040067919-A1 Injectable 2, 6-diisopropylphenol-containing anesthetic composition and methods CENTURION INC. 2004-04-08 US claimed
US-5637304-A Cosmetical or pharmaceutical compositions comprising deacylated glycerophospholipids for topical use FLARER S.A. PHARMACEUTICAL FINE CHEMICALS (CH) 1997-06-10 US claimed
US-5575994-A AGING RESISTANCE AND STORAGE STABILITY OF MIXTURES USING BACTERIOSTATS AND ANTIMICOTICS ISTITUTO GENTILI S.P.A. (IT) 1996-11-19 US claimed
EP-0613367-B1 DERMATOLOGICAL AND COSMETIC COMPOSITIONS GENTILI IST SPA (IT) 1995-11-02 EP claimed
EP-0613367-A1 DERMATOLOGICAL AND COSMETIC COMPOSITIONS. GENTILI IST SPA (IT) 1994-09-07 EP claimed
US-5300293-A Mixture of antigrowth agent and dextrin SUMITOMO CHEMICAL CO., LTD. (JP) 1994-04-05 US claimed
WO-1993009760-A2 DERMATOLOGICAL AND COSMETIC COMPOSITIONS ISTITUTO GENTILI S.P.A. (IT) 1993-05-27 WO claimed
US-5096710-A Cockroaches, juvenile hormone or chitin synthesis inhibitor, dextrin, plant oil SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-03-17 US claimed
US-4985413-A Poison bait for control of noxious insects SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-01-15 US claimed
US-4834977-A Poison bait for control of noxious insects SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-05-30 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 (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-20120022077-A1 NOVEL CYANOPYRIMIDINE DERIVATIVE ADORA2A, ADORA1, ADORA3 ALDH1A1 1232/4885LMNA 4003/4885ESR1 1202/4885

“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.