SCHEMBL142214

SCHEMBL142214

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.48
HIF1A Q16665 2/20 0.48
TSHR P16473 2/20 0.48
CYP2D6 P10635 1/20 0.48
HMGCR P04035 1/20 0.44
CHRM1 P11229 1/20 0.44
TBXA2R P21731 1/20 0.44
ADRA1A P35348 1/20 0.44
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.38
FFAR1 O14842 1/20 0.38
CPT2 P23786 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
FFAR3 O14843 1/20 0.35
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
THRB P10828 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4C Q9H3R0 1/20 0.32
ACLY P53396 2/20 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
SCHEMBL2220186 0.82 CYP2C19 (0.44) CYP2C19HIF1ATSHRCYP2D6HMGCR
SCHEMBL2221670 0.79 CYP2C19 (0.46) CYP2C19HIF1ATSHRCYP2D6HMGCR
SCHEMBL2220739 0.79 TDP1 (0.42) CYP2C19HIF1ATSHRCYP2D6HMGCR
SCHEMBL2221018 0.78 CYP2D6 (0.44) CYP2C19HIF1ATSHRCYP2D6HMGCR
SCHEMBL5679464 0.77 TSHR (0.55) CYP2C19HIF1ATSHRCYP2D6HMGCR
SCHEMBL31437945 0.76 ALDH1A1 (0.34) CYP2C19HIF1ATSHRCYP2D6ALDH1A1
SCHEMBL2220954 0.76 CYP2C19 (0.43) CYP2C19HIF1ATSHRCYP2D6HMGCR
SCHEMBL5904257 0.75 HMGCR (0.48) CYP2C19HIF1ATSHRCYP2D6HMGCR
SCHEMBL17376929 0.74 TSHR (0.32) CYP2C19HIF1ATSHRCYP2D6ALDH1A1
SCHEMBL14695271 0.71 TDP1 (0.39) CYP2C19HIF1ATSHRCYP2D6HMGCR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10431745-B2 Diketopyrrolopyrrole polymers for use in organic field effect transistors BASF SE (DE) 2019-10-01 US disclosed
EP-3456756-A2 DIKETOPYRROLOPYRROLE POLYMERS FOR USE IN ORGANIC FIELD EFFECT TRANSISTORS BASF SE (DE) 2019-03-20 EP disclosed
US-10224484-B2 Diketopyrrolopyrrole polymers for use in organic field effect transistors BASF SE (DE) 2019-03-05 US disclosed
US-20190027690-A9 DIKETOPYRROLOPYRROLE POLYMERS FOR USE IN ORGANIC FIELD EFFECT TRANSISTORS BASF SE (DE) 2019-01-24 US disclosed
US-10177313-B2 Diketopyrrolopyrrole polymers for use in organic semiconductor devices BASF SE (DE) 2019-01-08 US disclosed
EP-2350161-B1 DIKETOPYRROLOPYRROLE POLYMERS FOR USE IN ORGANIC FIELD EFFECT TRANSISTORS BASF SE (DE) 2018-11-21 EP disclosed
US-20180331296-A1 Diketopyrrolopyrrole Polymers for Use in Organic Field Effect Transistors BASF SE (DE) 2018-11-15 US disclosed
EP-2964704-B1 HETEROCYCLIC FLUORESCENT DYES AND METHOD OF PRODUCTION THEREOF BASF SE (DE) 2018-05-16 EP disclosed
EP-2350160-B1 DIKETOPYRROLOPYRROLE POLYMERS FOR USE IN ORGANIC SEMICONDUCTOR DEVICES BASF SE (DE) 2018-04-11 EP disclosed
US-9893302-B2 Heterocyclic fluorescent dyes and method of production thereof BASF SE (DE) 2018-02-13 US disclosed
US-20110240981-A1 DIKETOPYRROLOPYRROLE POLYMERS FOR USE IN ORGANIC FIELD EFFECT TRANSISTORS BASF SE (DE) 2011-10-06 US disclosed
US-20110215313-A1 DIKETOPYRROLOPYRROLE POLYMERS FOR USE IN ORGANIC SEMICONDUCTOR DEVICES BASF SE (DE) 2011-09-08 US disclosed
EP-2350160-A1 DIKETOPYRROLOPYRROLE POLYMERS FOR USE IN ORGANIC SEMICONDUCTOR DEVICES BASF SE (DE) 2011-08-03 EP disclosed
EP-2350161-A1 DIKETOPYRROLOPYRROLE POLYMERS FOR USE IN ORGANIC FIELD EFFECT TRANSISTORS BASF SE (DE) 2011-08-03 EP disclosed
US-20110004004-A1 PYRROLOPYRROLE DERIVATIVES, THEIR MANUFACTURE AND USE BASF SE (DE) 2011-01-06 US disclosed
WO-2010108873-A1 DIKETOPYRROLOPYRROLE POLYMERS FOR USE IN ORGANIC SEMICONDUCTOR DEVICES BASF SE (DE) 2010-09-30 WO 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-2009047104-A2 PYRROLOPYRROLE DERIVATIVES, THEIR MANUFACTURE AND USE BASF SE (CH) 2009-04-16 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-20110004004-A1 PYRROLOPYRROLE DERIVATIVES, THEIR MANUFACTURE AND USE PPOX, PIN1, DDT CYP2C19 465/4885HIF1A 4361/4885TSHR 3158/4885
US-10177313-B2 Diketopyrrolopyrrole polymers for use in organic semiconductor devices MARK1, SKP1, AK1 CYP2C19 1590/4885HIF1A 2967/4885TSHR 2965/4885

“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.