SCHEMBL1658327

SCHEMBL1658327

CCCC(C)(C)CCCO

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 3/20 0.48
LMNA P02545 2/20 0.48
HSD17B10 Q99714 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
TSHR P16473 1/20 0.48
CYP4F2 P78329 3/20 0.42
CYP4A11 Q02928 3/20 0.42
FFAR1 O14842 1/20 0.32
CPT2 P23786 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KDM4E B2RXH2 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30

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
SCHEMBL1659019 0.97 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1LMNAHSD17B10MEN1
SCHEMBL1658863 0.95 LMNA (0.50) SMN1; SMN2ALDH1A1LMNAHSD17B10MEN1
SCHEMBL1658861 0.89 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1LMNAHSD17B10MEN1
SCHEMBL1657812 0.86 SMN1; SMN2 (0.63) SMN1; SMN2ALDH1A1LMNAHSD17B10MEN1
SCHEMBL1658296 0.86 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1LMNAHSD17B10MEN1
SCHEMBL6448246 0.85 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1LMNAHSD17B10MEN1
SCHEMBL6518995 0.85 SMN1; SMN2 (0.37) SMN1; SMN2ALDH1A1LMNAHSD17B10MEN1
SCHEMBL588498 0.84 LMNA (0.57) SMN1; SMN2ALDH1A1LMNAHSD17B10MEN1
SCHEMBL31339077 0.84 LMNA (0.65) SMN1; SMN2ALDH1A1LMNAHSD17B10MEN1
SCHEMBL22455694 0.83 CYP4F2 (0.41) SMN1; SMN2ALDH1A1LMNAHSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9688838-B1 Diisononyl terephthalate plasticizer and its use as well as process for producing the same NAN YA PLASTICS CORPORATION (TW) 2017-06-27 US claimed
US-7816553-B2 Cyclohexane polycarboxylic acid derivatives containing adjuvants BASF SE (DE) 2010-10-19 US claimed
EP-0912490-A1 ESTERS, ETHERS, AND COMPOSITIONS COMPRISING THEM EXXON CHEMICAL PATENTS INC. (US) 1999-05-06 EP claimed
WO-1998003462-A1 ESTERS, ETHERS, AND COMPOSITIONS COMPRISING THEM EXXON CHEMICAL PATENTS, INC. (US) 1998-01-29 WO claimed
EP-0804402-A1 ORGANIC COMPOUNDS AND PROCESSES FOR THEIR MANUFACTURE EXXON CHEMICAL PATENTS INC. (US) 1997-11-05 EP claimed
WO-1996022268-A1 ORGANIC COMPOUNDS AND PROCESSES FOR THEIR MANUFACTURE EXXON CHEMICAL PATENTS INC. (US) 1996-07-25 WO claimed
CN-107428990-B Plasticizer composition comprising polymerization dicarboxylic ester and dimethyl terephthalate ester 巴斯夫欧洲公司 2019-07-12 CN disclosed
CN-106232571-B The method of carboxylate and its purposes as plasticiser are prepared in the presence of ionic liquid and acid esterification catalyst 巴斯夫欧洲公司 2019-05-28 CN disclosed
CN-107073914-A Display supporting substrates, use its colour filter and its manufacture method, organic EL element and its manufacture method and flexible organic el display 东丽株式会社 2017-08-18 CN disclosed
US-9688838-B1 Diisononyl terephthalate plasticizer and its use as well as process for producing the same NAN YA PLASTICS CORPORATION (TW) 2017-06-27 US disclosed
US-8632792-B2 Cooling sensation agent composition and sensory stimulation agent composition TAKASAGO INTERNATIONAL CORPORATION (JP) 2014-01-21 US disclosed
US-20130131169-A1 COOLING SENSATION AGENT COMPOSITION, SENSORY STIMULATION AGENT COMPOSITION AND USE OF THE SAME TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-05-23 US disclosed
US-8377458-B2 Cooling sensation agent composition, sensory stimulation agent composition and use of the same TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-02-19 US disclosed
US-20020143020-A1 Novel piperazine derivatives VERNALIS RESEARCH LIMITED (GB) 2002-10-03 US disclosed
US-6307093-B1 ESTERS OF BRANCHED C.SUB.9 ALCOHOLS SUITABLE AS PLASTICIZERS; C6 ALDEHYDE AND A SATURATED ALIPHATIC C9 ALDEHYDE; REFRIGERANT LUBRICANTS EXXONMOBIL CHEMICAL PATENTS INC. 2001-10-23 US disclosed
EP-0912490-A1 ESTERS, ETHERS, AND COMPOSITIONS COMPRISING THEM EXXON CHEMICAL PATENTS INC. (US) 1999-05-06 EP disclosed
WO-1998003462-A1 ESTERS, ETHERS, AND COMPOSITIONS COMPRISING THEM EXXON CHEMICAL PATENTS, INC. (US) 1998-01-29 WO disclosed
EP-0804402-A1 ORGANIC COMPOUNDS AND PROCESSES FOR THEIR MANUFACTURE EXXON CHEMICAL PATENTS INC. (US) 1997-11-05 EP disclosed
WO-1996022268-A1 ORGANIC COMPOUNDS AND PROCESSES FOR THEIR MANUFACTURE EXXON CHEMICAL PATENTS INC. (US) 1996-07-25 WO disclosed
US-3979466-A ALKALI CATALYST CONTINENTAL OIL COMPANY (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 (2 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-20020143020-A1 Novel piperazine derivatives CYP4B1, UGT1A1, CYP1B1 SMN1; SMN2 1517/4885ALDH1A1 4/4885LMNA 4209/4885
US-20130131169-A1 COOLING SENSATION AGENT COMPOSITION, SENSORY STIMULATION AGENT COMPOSITION AND USE OF THE SAME TRPA1, TRPV1, TRPM4 SMN1; SMN2 2797/4885ALDH1A1 685/4885LMNA 1727/4885

“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.