SCHEMBL945751

SCHEMBL945751

CCCCC(CBr)CCCC

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
TSHR P16473 5/20 0.46
CYP3A4 P08684 4/20 0.46
LMNA P02545 2/20 0.42
DNM1 Q05193 2/20 0.41
CA2 P00918 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.35
FDPS P14324 1/20 0.35
ATM Q13315 1/20 0.34
OPRM1 P35372 1/20 0.33

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
SCHEMBL8773976 0.94
SCHEMBL1975649 0.92 ALDH1A1 (0.42) ALDH1A1TDP1TSHRCYP3A4LMNA
SCHEMBL725115 0.92 LMNA (0.54) ALDH1A1TDP1TSHRCYP3A4LMNA
Ammonia Solution, Strong SCHEMBL10968113 0.92 ALDH1A1 (0.42) ALDH1A1TDP1TSHRCYP3A4LMNA
SCHEMBL9000696 0.92 LMNA (0.54) ALDH1A1TDP1TSHRCYP3A4LMNA
SCHEMBL23422094 0.92 LMNA (0.54) ALDH1A1TDP1TSHRCYP3A4LMNA
SCHEMBL28253670 0.92 LMNA (0.54) ALDH1A1TDP1TSHRCYP3A4LMNA
Ammonia Solution, Strong SCHEMBL29074817 0.91 ALDH1A1 (0.46) ALDH1A1TDP1TSHRCYP3A4LMNA
SCHEMBL11786093 0.91 LMNA (0.52) ALDH1A1TDP1TSHRCYP3A4LMNA
SCHEMBL17188257 0.88 LMNA (0.56) ALDH1A1TSHRLMNADNM1FDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11217752-B2 Diketopyrrolopyrrole polymers as organic semiconductors BASF SE (DE) 2022-01-04 US disclosed
US-10424737-B2 Diketopyrrolopyrrole polymers as organic semiconductors BASF SE (DE) 2019-09-24 US disclosed
US-20160049589-A1 DIKETOPYRROLOPYRROLE POLYMERS AS ORGANIC SEMICONDUCTORS BASF SE (DE) 2016-02-18 US disclosed
US-9153785-B2 Semiconducting polymers THE UNIVERSITY OF CHICAGO (US) 2015-10-06 US disclosed
US-9153785-B2 Semiconducting polymers THE UNIVERSITY OF CHICAGO (US) 2015-10-06 US disclosed
US-9153785-B2 Semiconducting polymers THE UNIVERSITY OF CHICAGO (US) 2015-10-06 US disclosed
EP-2035428-B1 DIKETOPYRROLOPYRROLE POLYMERS AS ORGANIC SEMICONDUCTORS BASF SE (DE) 2015-09-23 EP disclosed
US-9018397-B2 Pyrrolopyrrole derivatives, their manufacture and use BASF SE (DE) 2015-04-28 US disclosed
US-20140145119-A1 SEMICONDUCTING POLYMERS UNIVERSITY OF CHICAGO (US) 2014-05-29 US disclosed
US-20140145119-A1 SEMICONDUCTING POLYMERS UNIVERSITY OF CHICAGO (US) 2014-05-29 US disclosed
US-20130172575-A1 Pyrrolopyrrole derivatives, their manufacture and use BASF SE (DE) 2013-07-04 US disclosed
US-8404864-B2 Pyrrolopyrrole derivatives, their manufacture and use BASF SE (DE) 2013-03-26 US disclosed
WO-2012142469-A1 SEMICONDUCTING POLYMERS UNIVERSITY OF CHICAGO (US) 2012-10-18 WO disclosed
US-20110004004-A1 PYRROLOPYRROLE DERIVATIVES, THEIR MANUFACTURE AND USE BASF SE (DE) 2011-01-06 US disclosed
EP-2209788-A2 PYRROLOPYRROLE DERIVATIVES, THEIR MANUFACTURE AND USE BASF SE (DE) 2010-07-28 EP disclosed
US-20090302311-A1 Diketopyrrolopyrrole polymers as organic semiconductors BASF SE (DE) 2009-12-10 US disclosed
CN-101479272-A Diketopyrrolopyrrole polymers as organic semiconductors CIBA HOLDING INC (CH) 2009-07-08 CN disclosed
WO-2009047104-A2 PYRROLOPYRROLE DERIVATIVES, THEIR MANUFACTURE AND USE BASF SE (CH) 2009-04-16 WO disclosed
EP-2035428-A1 DIKETOPYRROLOPYRROLE POLYMERS AS ORGANIC SEMICONDUCTORS Ciba Holding Inc. (CH) 2009-03-18 EP disclosed
WO-2008000664-A1 DIKETOPYRROLOPYRROLE POLYMERS AS ORGANIC SEMICONDUCTORS CIBA HOLDING INC. (CH) 2008-01-03 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 (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-20160049589-A1 DIKETOPYRROLOPYRROLE POLYMERS AS ORGANIC SEMICONDUCTORS PIN1, PPOX, DDT ALDH1A1 2573/4885TDP1 1844/4885TSHR 3885/4885
US-20110004004-A1 PYRROLOPYRROLE DERIVATIVES, THEIR MANUFACTURE AND USE PPOX, PIN1, DDT ALDH1A1 1515/4885TDP1 1644/4885TSHR 3158/4885
US-10424737-B2 Diketopyrrolopyrrole polymers as organic semiconductors PIN1, PPOX, DDT ALDH1A1 2573/4885TDP1 1844/4885TSHR 3885/4885
US-11217752-B2 Diketopyrrolopyrrole polymers as organic semiconductors ARPC4, DRD1, DRD4 ALDH1A1 765/4885TDP1 1513/4885TSHR 4568/4885

“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.