SCHEMBL1728131

SCHEMBL1728131

CCC(CC)(CC)C(=O)OC(C)=O

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
TSHR P16473 2/20 0.45
TDP1 Q9NUW8 3/20 0.38
HSD17B10 Q99714 2/20 0.38
LMNA P02545 1/20 0.38
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
FFAR3 O14843 1/20 0.32
GAA P10253 1/20 0.31
SOAT1 P35610 1/20 0.31

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
SCHEMBL4653162 0.97 ALDH1A1 (0.43) ALDH1A1TSHRTDP1HSD17B10LMNA
SCHEMBL10837533 0.86 CYP4F2 (0.40) ALDH1A1TSHRTDP1HSD17B10LMNA
SCHEMBL9015631 0.84 ALDH1A1 (0.36) ALDH1A1TSHRTDP1HSD17B10LMNA
SCHEMBL6656497 0.84 ALDH1A1 (0.36) ALDH1A1TSHRTDP1HSD17B10LMNA
SCHEMBL5570447 0.81 CYP4F2 (0.37) ALDH1A1TSHRCYP4F2CYP4A11
SCHEMBL5570450 0.81 ALDH1A1 (0.41) ALDH1A1TSHRTDP1HSD17B10LMNA
SCHEMBL28423843 0.80 CYP4F2 (0.43) ALDH1A1CYP4F2CYP4A11
SCHEMBL27805166 0.78 CYP4F2 (0.42) ALDH1A1CYP4F2CYP4A11
SCHEMBL1417855 0.77 ALDH1A1 (0.43) ALDH1A1TSHRTDP1HSD17B10LMNA
SCHEMBL6365280 0.77 ALDH1A1 (0.46) ALDH1A1TSHRTDP1CYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240024249-A1 ORAL DOSAGE FORMS HAVING A HIGH LOADING OF A METHYL HYDROGEN FUMARATE PRODRUG HPS INVESTMENT PARTNERS, LLC, AS ADMINISTRATIVE AGENT 2024-01-25 US disclosed
EP-2654463-B1 ANTIOXIDANTS IN FISH OIL POWDER AND TABLETS OMEGATRI AS (NO) 2018-05-30 EP disclosed
EP-1586295-B1 Cosmetic composition for skin, lips and / or nails. L'ORÉAL (FR) 2017-05-17 EP disclosed
US-20170035714-A1 Oral Dosage forms having a High Loading of a Gabapentin Prodrug ARBOR PHARMACEUTICALS, LLC 2017-02-09 US disclosed
US-20140056973-A1 Oral Dosage Forms Having a High Loading of a Methyl Hydrogen Fumarate Prodrug XENOPORT, INC. (US) 2014-02-27 US disclosed
WO-2014031897-A1 ORAL DOSAGE FORMS HAVING A HIGH LOADING OF (N,N- DIETHYLCARBAMOYL)METHYL METHYL|(2E)BUT-2-ENE-1,4-DIOATE XENOPORT, INC. (US) 2014-02-27 WO disclosed
EP-2654463-A2 ANTIOXIDANTS IN FISH OIL POWDER AND TABLETS Omegatri AS (NO) 2013-10-30 EP disclosed
WO-2012085671-A2 ANTIOXIDANTS IN FISH OIL POWDER AND TABLETS OMEGATRI AS (NO) 2012-06-28 WO disclosed
US-20120156296-A1 ANTIOXIDANTS IN FISH OIL POWDER AND TABLETS OMEGATRI AS (NO) 2012-06-21 US disclosed
EP-2403481-A1 ORAL DOSAGE FORMS HAVING A HIGH LOADING OF A GABAPENTIN PRODRUG XenoPort, Inc. (US) 2012-01-11 EP disclosed
EP-0765157-A1 PELLETS DUMEX-ALPHARMA A/S (DK) 1997-04-02 EP disclosed
WO-1995034291-A1 PELLETS DUMEX-ALPHARMA A/S (DK) 1995-12-21 WO disclosed
US-4609741-A CURING AGENTS FOR EPOXIDES CIBA-GEIGY CORPORATION (US) 1986-09-02 US disclosed
US-4480105-A PHOTOCROSSLINKING POLYMERS CIBA-GEIGY CORPORATION (US) 1984-10-30 US disclosed
US-4363917-A SENSITIZERS FOR PHOTOCROSSLINKABLE POLYMERS; PHOTOPOLYMERIZATION INITIATORS CIBA-GEIGY CORPORATION (US) 1982-12-14 US disclosed
US-4160081-A Imidyl- and isoimidyl-phthalic anhydrides, process for their manufacture and their use for curing epoxide resins CIBA-GEIGY CORPORATION (US) 1979-07-03 US disclosed
US-4158662-A STORAGE STABLE MOLDING MATERIAL CIBA-GEIGY CORPORATION (US) 1979-06-19 US disclosed
US-4140703-A CURING AGENTS FOR POLYEPOXIDES CIBA-GEIGY CORPORATION (US) 1979-02-20 US disclosed
US-4131613-A CURING AGENTS FOR EPOXIDE RESINS CIBA-GEIGY CORPORATION (US) 1978-12-26 US disclosed
US-3979393-A Imidyl- and isoimidyl-phthalic anhydrides, process for their manufacture and their use for curing epoxide resins CIBA-GEIGY CORPORATION (US) 1976-09-07 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-20240024249-A1 ORAL DOSAGE FORMS HAVING A HIGH LOADING OF A METHYL HYDROGEN FUMARATE PRODRUG FH, MGMT, CYP4F2 ALDH1A1 1240/4885TSHR 4391/4885TDP1 2155/4885
US-20170035714-A1 Oral Dosage forms having a High Loading of a Gabapentin Prodrug GABRE, GABRP, GABRG1 ALDH1A1 950/4885TSHR 3881/4885TDP1 2298/4885
US-20140056973-A1 Oral Dosage Forms Having a High Loading of a Methyl Hydrogen Fumarate Prodrug FH, MGMT, CYP4F2 ALDH1A1 1240/4885TSHR 4391/4885TDP1 2155/4885

“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.