SCHEMBL355528

SCHEMBL355528

CCC1(O)CCCCCC1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.34
ALDH1A1 P00352 1/20 0.33
USP2 O75604 1/20 0.33
TSHR P16473 1/20 0.33
SLC6A4 P31645 3/20 0.32
SLC6A3 Q01959 3/20 0.32

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
SCHEMBL955188 1.00 CYP2C19 (0.34) CYP2C19ALDH1A1USP2TSHRSLC6A4
SCHEMBL43020 1.00
SCHEMBL6062608 1.00 CYP2C19 (0.34) CYP2C19ALDH1A1USP2TSHRSLC6A4
Ammonia Solution, Strong SCHEMBL5830917 0.97 CYP2C19 (0.33) CYP2C19ALDH1A1USP2TSHRSLC6A4
Hydrochloric Acid SCHEMBL5718393 0.97 CYP2C19 (0.33) CYP2C19ALDH1A1USP2TSHRSLC6A4
SCHEMBL29153155 0.97 SLC6A4 (0.32) CYP2C19USP2TSHRSLC6A4SLC6A3
SCHEMBL305816 0.97
SCHEMBL129903 0.90
Bicarbonate SCHEMBL14990798 0.89 CYP2C19 (0.38) CYP2C19ALDH1A1USP2TSHR
SCHEMBL5904378 0.89 CYP2C19 (0.31) CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108863693-B Preparation method of dicyclic alkane and application of dicyclic alkane as jet fuel 天津大学 2020-12-08 CN claimed
CN-107628920-B Preparation method of alkyl substituted naphthalane and application of alkyl substituted naphthalane as jet fuel 天津大学 2020-08-04 CN claimed
WO-2008009680-A1 NOVEL HYDROGEN-RICH 1,3-DIALKOXYDISILOXANES AND PROCESSES FOR THEIR PREPARATION AND THEIR USE TECHNISCHE UNIVERSITÄT BERGAKADEMIE FREIBERG (DE) 2008-01-24 WO claimed
EP-2735581-B1 COMPOSITION AND POLYMER ASAHI CHEMICAL IND (JP) 2021-07-14 EP disclosed
CN-108863693-B Preparation method of dicyclic alkane and application of dicyclic alkane as jet fuel 天津大学 2020-12-08 CN disclosed
CN-107628920-B Preparation method of alkyl substituted naphthalane and application of alkyl substituted naphthalane as jet fuel 天津大学 2020-08-04 CN disclosed
US-9951163-B2 (Meth)acrylate compound, (meth)acrylic copolymer and photosensitive resin composition containing same MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2018-04-24 US disclosed
US-9738757-B2 Composition and polymer ASAHI KASEI CHEMICALS CORPORATION (JP) 2017-08-22 US disclosed
US-20160347896-A1 (METH)ACRYLATE COMPOUND, (METH)ACRYLIC COPOLYMER AND PHOTOSENSITIVE RESIN COMPOSITION CONTAINING SAME MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2016-12-01 US disclosed
US-20160347896-A1 (METH)ACRYLATE COMPOUND, (METH)ACRYLIC COPOLYMER AND PHOTOSENSITIVE RESIN COMPOSITION CONTAINING SAME MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2016-12-01 US disclosed
US-20160222168-A1 Composition and Polymer ASAHI KASEI CHEMICALS CORPORATION (JP) 2016-08-04 US disclosed
US-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof RENOVIS, INC. 2008-02-14 US disclosed
WO-2008009680-A1 NOVEL HYDROGEN-RICH 1,3-DIALKOXYDISILOXANES AND PROCESSES FOR THEIR PREPARATION AND THEIR USE TECHNISCHE UNIVERSITÄT BERGAKADEMIE FREIBERG (DE) 2008-01-24 WO disclosed
US-7297700-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2007-11-20 US disclosed
US-7297700-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2007-11-20 US disclosed
EP-1836161-A2 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES Neurochem (International) Limited (CH) 2007-09-26 EP disclosed
US-20060223855-A1 reduces or inhibits amyloid fibril formation, organ specific dysfunction (e.g., neurodegeneration), or cellular toxicity NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2006-10-05 US disclosed
WO-2006085149-A2 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2006-08-17 WO disclosed
EP-0141419-B1 3,5-DIALKYL-4-HYDROXYPHENYL-SUBSTITUTED DERIVATIVES The B.F. GOODRICH Company (US) 1988-03-09 EP disclosed
EP-0141419-A1 3,5-Dialkyl-4-hydroxyphenyl-substituted derivatives The B.F. GOODRICH Company (US) 1985-05-15 EP 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-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX2 CYP2C19 1078/4885ALDH1A1 3640/4885USP2 4733/4885
US-20060223855-A1 reduces or inhibits amyloid fibril formation, organ specific dysfunction (e.g., neurodegeneration), or cellular toxicity APP, IAPP, BACE1 CYP2C19 4141/4885ALDH1A1 2230/4885USP2 2473/4885
US-20160347896-A1 (METH)ACRYLATE COMPOUND, (METH)ACRYLIC COPOLYMER AND PHOTOSENSITIVE RESIN COMPOSITION CONTAINING SAME REV1, EEF1A1, EEF1A2 CYP2C19 1622/4885ALDH1A1 1187/4885USP2 3971/4885

“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.