SCHEMBL770089

SCHEMBL770089

CCC[C](C)C(C)CCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
FDPS P14324 6/20 0.35
CA1 P00915 2/20 0.34
FFAR4 Q5NUL3 1/20 0.31
ACE2 Q9BYF1 1/20 0.31
FFAR1 O14842 1/20 0.31
OPRM1 P35372 1/20 0.31
CHRM1 P11229 1/20 0.31
AKR1A1 P14550 1/20 0.31
CHRM3 P20309 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
ADRA1A P35348 1/20 0.31
HRH1 P35367 1/20 0.31
DRD3 P35462 1/20 0.31
SLC6A3 Q01959 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL9764078 0.86 CA1 (0.43) FDPSCA1FFAR4ACE2FFAR1
SCHEMBL17182195 0.84 CA1 (0.52) FDPSCA1FFAR4ACE2FFAR1
SCHEMBL6051327 0.82 CA1 (0.50) FDPSCA1FFAR4ACE2FFAR1
SCHEMBL3683448 0.80
SCHEMBL4620404 0.80
SCHEMBL9243699 0.79 TSHR (0.31) TSHR
SCHEMBL7116034 0.76 CA1 (0.43) FDPSCA1FFAR4ACE2FFAR1
SCHEMBL1872785 0.75 CA1 (0.31) CA1
SCHEMBL16685308 0.75 TP53 (0.38) CA1
SCHEMBL4652990 0.74 TSHR (0.46) TSHRFDPSCA1ACE2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016124694-A1 LIGHT ABSORBER Technische Universität Dresden (DE) 2016-08-11 WO claimed
US-11254661-B2 Quinoline derivatives for treating infections with helminths BAYER ANIMAL HEALTH GMBH 2022-02-22 US disclosed
US-10138307-B2 Antimicrobial polymer Fachhochschule Münster (DE) 2018-11-27 US disclosed
EP-3383861-A2 ARYLATION METHOD Umicore AG & Co. KG (DE) 2018-10-10 EP disclosed
EP-3127996-A1 WASHING AGENT WITH IRONING AID Henkel AG & Co. KGaA (DE) 2017-02-08 EP disclosed
EP-3127995-A1 NOVEL, WHITENESS REINFORCING DETERGENT Henkel AG & Co. KGaA (DE) 2017-02-08 EP disclosed
WO-2016124694-A1 LIGHT ABSORBER Technische Universität Dresden (DE) 2016-08-11 WO disclosed
US-20150368380-A1 ANTIMICROBIAL POLYMER Fachhochschule Münster (DE) 2015-12-24 US disclosed
US-20120067715-A1 METHOD FOR PURIFYING CARBOXYLIC ACIDS CONTAINING HALOGEN COMPOUNDS BASF SE (DE) 2012-03-22 US disclosed
US-7927080-B2 Method for operating a liquid ring compressor BASF AKTIENGESELLSCHAFT (DE) 2011-04-19 US disclosed
US-7754053-B2 Distillation of ionic liquids BASF SE (DE) 2010-07-13 US disclosed
EP-1986598-A1 UV FILTER CAPSULES COMPRISING AN AMINOSUBSTITUTED HYDROXYBENZOPHENONE Merck Patent GmbH (DE) 2008-11-05 EP disclosed
WO-2007093252-A1 UV FILTER CAPSULES COMPRISING AN AMINOSUBSTITUTED HYDROXYBENZOPHENONE MERCK PATENT GMBH (DE) 2007-08-23 WO disclosed
US-20070095645-A1 Distillation of ionic liquids BASF AKTIENGESELLSCHAFT (DE) 2007-05-03 US disclosed
EP-1445266-A2 Photoresist copolymer Daicel Chemical Industries, Ltd. (JP) 2004-08-11 EP disclosed
US-20030180662-A1 Acid-sensitive compound and resin composition for photoresist DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2003-09-25 US disclosed
EP-1000924-A1 ACID-SENSITIVE COMPOUND AND RESIN COMPOSITION FOR PHOTORESIST Daichel Chemical Industries Ltd (JP) 2000-05-17 EP disclosed
US-5116402-A HERBICIDAL COMPOSITION CONTAINING DIOXOLANE, DIOXANE, OR DIOXEPANE DERIVATIVES AS ANTIDOTE MAGYAR TUDOMANVOS AKADEMIA KOZPONTI KEMIAI KUTATO INTEZETE NITROKEMIA INARTELENEK FUZFOGYARTELEP (HU) 1992-05-26 US disclosed
US-4313892-A VULCANIZATION INHIBITORS MONSANTO COMPANY (US) 1982-02-02 US disclosed
US-4248805-A Vulcanizable rubber compositions containing N-(sulfenyl) phthalamides as scorch inhibitors MONSANTO COMPANY (US) 1981-02-03 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 (4 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-10138307-B2 Antimicrobial polymer PUF60, PARG, DPM1 TSHR 4853/4885FDPS 334/4885CA1 4855/4885
US-20120067715-A1 METHOD FOR PURIFYING CARBOXYLIC ACIDS CONTAINING HALOGEN COMPOUNDS TBCA, BCAT1, BCAT2 TSHR 865/4885FDPS 943/4885CA1 11/4885
US-11254661-B2 Quinoline derivatives for treating infections with helminths RECQL, HRH2, HRH4 TSHR 2414/4885FDPS 543/4885CA1 4407/4885
US-20150368380-A1 ANTIMICROBIAL POLYMER PUF60, PARG, DPM1 TSHR 4853/4885FDPS 334/4885CA1 4855/4885

“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.