SCHEMBL142216

SCHEMBL142216

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 2/20 0.36
ADRA1A P35348 2/20 0.36
AKR1A1 P14550 1/20 0.36
CHRM3 P20309 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HRH1 P35367 1/20 0.36
DRD3 P35462 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CA2 P00918 1/20 0.36
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 2/20 0.33
FFAR3 O14843 1/20 0.33
MAPT P10636 1/20 0.33
PTGS1 P23219 1/20 0.33
HMGCR P04035 1/20 0.32
TBXA2R P21731 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
SCHEMBL14818326 0.93 CA2 (0.32) CHRM1ADRA1AAKR1A1CHRM3HTR2A
SCHEMBL19872795 0.91 CA2 (0.31) CHRM1ADRA1AAKR1A1CHRM3HTR2A
SCHEMBL16382109 0.89 CHRM1 (0.34) CHRM1ADRA1AAKR1A1CHRM3HTR2A
SCHEMBL13940318 0.87 SLC7A5 (0.33) CHRM1ADRA1AAKR1A1CHRM3HTR2A
SCHEMBL28248207 0.87 CA2 (0.32) CHRM1ADRA1AAKR1A1CHRM3HTR2A
SCHEMBL10038336 0.85 TP53 (0.32) CHRM1ADRA1AAKR1A1CHRM3HTR2A
SCHEMBL6983415 0.84 SLC7A5 (0.31) CHRM1ADRA1AAKR1A1CHRM3HTR2A
SCHEMBL19084199 0.82 SLC7A5 (0.30)
SCHEMBL19726621 0.80
SCHEMBL5159452 0.80

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365468-A1 PROCESS FOR PRODUCING CALCIUM SILICATE HYDRATE BASF SE (DE) 2023-11-16 US disclosed
US-20230275221-A1 ELECTRODE COMPOSITION, ELECTRODE SHEET FOR ALL-SOLID STATE SECONDARY BATTERY, AND ALL-SOLID STATE SECONDARY BATTERY, AND MANUFACTURING METHODS FOR ELECTRODE SHEET FOR ALL-SOLID STATE SECONDARY BATTERY AND ALL-SOLID STATE SECONDARY BATTERY FUJIFILM CORPORATION (JP) 2023-08-31 US disclosed
US-11667569-B2 Composition containing a semi-ordered calcium silicate hydrate BASF SE 2023-06-06 US disclosed
WO-2022073961-A1 PROCESS FOR PRODUCING CALCIUM SILICATE HYDRATE BASF SE (DE) 2022-04-14 WO disclosed
WO-2022065225-A1 POLYMER, POLYMER SOLUTION, AND PHOTOSENSITIVE RESIN COMPOSITION 住友ベークライト株式会社 2022-03-31 WO disclosed
EP-3922681-A1 RED PIGMENT COMPOSITION FOR COLOR FILTER BASF SE (DE) 2021-12-15 EP disclosed
US-20210277251-A1 RED PIGMENT COMPOSITION FOR COLOR FILTER BASF SE (DE) 2021-09-09 US disclosed
EP-3810696-A2 RED PIGMENT COMPOSITION FOR COLOR FILTER BASF SE (DE) 2021-04-28 EP disclosed
US-10946494-B2 Polishing agent, stock solution for polishing agent, and polishing method SHOWA DENKO MATERIALS CO., LTD. (JP) 2021-03-16 US disclosed
US-20200231499-A1 COMPOSITION CONTAINING A SEMI-ORDERED CALCIUM SILICATE HYDRATE BASF SE (DE) 2020-07-23 US disclosed
EP-2209788-A2 PYRROLOPYRROLE DERIVATIVES, THEIR MANUFACTURE AND USE BASF SE (DE) 2010-07-28 EP disclosed
WO-2010049323-A1 DIKETOPYRROLOPYRROLE POLYMERS FOR USE IN ORGANIC SEMICONDUCTOR DEVICES BASF SE (DE) 2010-05-06 WO disclosed
WO-2010049321-A1 DIKETOPYRROLOPYRROLE POLYMERS FOR USE IN ORGANIC FIELD EFFECT TRANSISTORS BASF SE (DE) 2010-05-06 WO disclosed
WO-2009144115-A1 IMPROVED, RED COLOUR FILTER COMPOSITION BASF SE (DE) 2009-12-03 WO disclosed
WO-2009047104-A2 PYRROLOPYRROLE DERIVATIVES, THEIR MANUFACTURE AND USE BASF SE (CH) 2009-04-16 WO disclosed
US-20080287689-A1 Heat-stable diketopyrrolopyrrole pigment mixtures WALLQUIST OLOF 2008-11-20 US disclosed
US-7417154-B2 Heat-stable diketopyrrolopyrrole pigment mixtures CIBA SPECIALTY CHEMICALS CORPORATION (US) 2008-08-26 US disclosed
US-20070028807-A1 Heat-stable diketopyrrolopyrrole pigment mixtures CIBA SPECIALTY CHEMICALS CORP. 2007-02-08 US disclosed
EP-1675916-A1 HEAT-STABLE DIKETOPYRROLOPYRROLE PIGMENT MIXTURES Ciba SC Holding AG (CH) 2006-07-05 EP disclosed
WO-2005040284-A1 HEAT-STABLE DIKETOPYRROLOPYRROLE PIGMENT MIXTURES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2005-05-06 WO 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-20070028807-A1 Heat-stable diketopyrrolopyrrole pigment mixtures NDUFS5, CBR3, CYB5R3 CHRM1 265/4885ADRA1A 1319/4885AKR1A1 187/4885
US-20080287689-A1 Heat-stable diketopyrrolopyrrole pigment mixtures CBR3, NDUFS5, CYB5R3 CHRM1 205/4885ADRA1A 1586/4885AKR1A1 253/4885

“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.