SCHEMBL710232

SCHEMBL710232

CC(C)COCCCCO

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.42
SPHK1 Q9NYA1 2/20 0.40
SPHK2 Q9NRA0 1/20 0.40
HTT P42858 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
THRB P10828 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 3/20 0.37
HSD17B10 Q99714 2/20 0.36
GAA P10253 1/20 0.35
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 2/20 0.32
ALDH1A1 P00352 1/20 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
SCHEMBL2525592 0.98 USP2 (0.45) USP2SPHK1SPHK2HTTMEN1
SCHEMBL2527672 0.98 USP2 (0.45) USP2SPHK1SPHK2HTTMEN1
SCHEMBL2956370 0.98 HTT (0.41) USP2SPHK1SPHK2HTTMEN1
SCHEMBL2962278 0.98 HTT (0.41) USP2SPHK1SPHK2HTTMEN1
SCHEMBL296903 0.92
1,4-Butanediol SCHEMBL29083545 0.87 SMN1; SMN2 (0.38) MEN1KMT2ATSHRHSD17B10SMN1; SMN2
SCHEMBL11858528 0.87 SPHK1 (0.42) USP2SPHK1SPHK2HTTHSD17B10
SCHEMBL17530115 0.86 MEN1 (0.56) USP2SPHK1SPHK2HTTMEN1
SCHEMBL8810634 0.85 USP2 (0.42) USP2SPHK1SPHK2HTTMEN1
Succinic Acid SCHEMBL2961696 0.84 GAA (0.42) USP2SPHK1SPHK2HTTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461135-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2013-06-11 US claimed
US-8039450-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2011-10-18 US claimed
US-7766978-B2 Acidic hair dyeing method KOKYU ALCOHOL KOGYO CO., LTD. (JP) 2010-08-03 US claimed
US-20090100609-A1 ACIDIC HAIR DYE COMPOSITION KOKYU ALCOHOL KOGYO CO., LTD. (JP) 2009-04-23 US claimed
EP-2392314-B1 OILY HAIR COSMETIC KOKYU ALCOHOL KOGYO CO LTD (JP) 2019-08-14 EP disclosed
US-9617438-B2 Oily inkjet ink RISO KAGAKU CORPORATION (JP) 2017-04-11 US disclosed
EP-2237774-B1 THE USE OF 6-HALOGENO-(1,2,4)-TRIAZOLO-(1,5-a)-PYRIMIDINE COMPOUNDS FOR COMBATING PESTS IN AND ON ANIMALS MERIAL LTD (US) 2016-06-22 EP disclosed
US-9133209-B2 Insecticidal 4-amino-thieno[2,3-D]-pyrimidine compounds and methods of their use MERIAL, INC. (US) 2015-09-15 US disclosed
EP-2459569-B1 INSECTICIDAL 4-AMINO-THIENO[2,3-D]-PYRIMIDINE COMPOUNDS AND METHODS OF THEIR USE MERIAL INC (US) 2015-07-22 EP disclosed
US-9045465-B1 3-heterocyclyl-substituted benzoyl derivatives BASF SE (DE) 2015-06-02 US disclosed
EP-1662877-B1 6-HALOGENO-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINES FOR COMBATING ANIMAL PESTS MERIAL LTD (US) 2014-12-17 EP disclosed
US-8664235-B2 6-Halogeno-[1,2,4]triazolo[1,5-a]pyrimidines for combating animal pests MERIAL LIMITED (US) 2014-03-04 US disclosed
EP-0536936-A1 Pyrimidine nucleoside derivatives having anti-tumor activity, their preparation and use Sankyo Company Limited (JP) 1993-04-14 EP disclosed
US-4695656-A Process for the preparation of 2,4-dinitrophenyl ethers CASSELLA AKTIENGESELLSCHAFT (DE) 1987-09-22 US disclosed
EP-0204111-A2 Process for the preparation of 2,4-dinitrophenyl ethers CASSELLA Aktiengesellschaft (DE) 1986-12-10 EP disclosed
EP-0200955-A2 Process for the preparation of 2,4-dinitrophenyl ethers CASSELLA Aktiengesellschaft (DE) 1986-11-12 EP disclosed
US-4532239-A N-phenoxypropanol-N'-pyridazinyl ethylendiamines as β-receptor blockers CASSELLA AKTIENGESELLSCHAFT (DE) 1985-07-30 US disclosed
EP-0054946-B1 BASIC SUBSTITUTED PYRIDAZINES, THEIR PREPARATION AND THEIR USE CASSELLA Aktiengesellschaft (DE) 1984-08-15 EP disclosed
EP-0054946-A1 Basic substituted pyridazines, their preparation and their use CASSELLA Aktiengesellschaft (DE) 1982-06-30 EP disclosed
US-4216314-A CARDIOSELECTIVE B-ADRENOLYTIC AGENTS, ANTIARRHYTHMIC AGENTS AND HYPOTENSIVE AGENTS CASSELLA FARBWERKE MAINKUR AKTIENGESELLSCHAFT (DE) 1980-08-05 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 (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-20090100609-A1 ACIDIC HAIR DYE COMPOSITION H1-0, MRM1, H1-4 USP2 3520/4885SPHK1 3599/4885SPHK2 3888/4885

“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.