SCHEMBL2500855

SCHEMBL2500855

Nc1cc(Cl)ccc1-c1cccc(Cl)c1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
TP53 P04637 1/20 0.48
ALDH1A1 P00352 4/20 0.45
CYP3A4 P08684 3/20 0.45
ALOX15 P16050 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
MAPK1 P28482 2/20 0.45
CYP2D6 P10635 1/20 0.45
MAOA P21397 1/20 0.45
ADRA1A P35348 1/20 0.45
SCN4A P35499 1/20 0.45
BLM P54132 1/20 0.45
PMP22 Q01453 1/20 0.45
PDE3A Q14432 1/20 0.45
SCN5A Q14524 1/20 0.45
SCN9A Q15858 1/20 0.45
SCN2A Q99250 1/20 0.45
SCN3A Q9NY46 1/20 0.45
SCN10A Q9Y5Y9 1/20 0.45

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
SCHEMBL2502453 0.85 TSHR (0.48) TSHRTP53ALDH1A1CYP3A4ALOX15
SCHEMBL4449749 0.82 AHR (0.52) TSHRTP53ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL2497040 0.81 HSD11B1 (0.43) ALDH1A1MAPK1CYP2D6MAOAADRA1A
SCHEMBL30839752 0.81 ALDH1A1 (0.65) TSHRTP53ALDH1A1CYP3A4ALOX15
SCHEMBL30839712 0.81 ALDH1A1 (0.65) TSHRTP53ALDH1A1CYP3A4ALOX15
SCHEMBL27185985 0.81 ALDH1A1 (0.65) TSHRTP53ALDH1A1CYP3A4ALOX15
SCHEMBL397466 0.79 ALDH1A1 (0.59) TSHRALDH1A1SMN1; SMN2MAPK1CYP2D6
SCHEMBL4450231 0.78 P2RX7 (0.44) TSHRTP53ALDH1A1CYP3A4SMN1; SMN2
Hydrochloric Acid SCHEMBL28115566 0.78 ALDH1A1 (0.56) TSHRALDH1A1SMN1; SMN2MAPK1CYP2D6
SCHEMBL11214035 0.77 TSHR (0.58) TSHRTP53ALDH1A1CYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8030527-B2 Process for preparing substituted biphenyls BASF SE (DE) 2011-10-04 US disclosed
US-20100256418-A1 PROCESS FOR PREPARING SUBSTITUTED BIPHENYLS SMIDT SEBASTIAN PEER 2010-10-07 US disclosed
US-7709684-B2 Process for preparing substituted biphenyls BASF SE (DE) 2010-05-04 US disclosed
EP-2029519-A1 PROCESS FOR PREPARING SUBSTITUTED BIPHENYLS BASF SE (DE) 2009-03-04 EP disclosed
US-20090005597-A1 Process for Preparing Substituted Biphenyls BASF SE (DE) 2009-01-01 US disclosed
WO-2007138089-A1 PROCESS FOR PREPARING SUBSTITUTED BIPHENYLS BASF SE (DE) 2007-12-06 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-20100256418-A1 PROCESS FOR PREPARING SUBSTITUTED BIPHENYLS CBR3, HRH3, CBR1 TSHR 20/4885TP53 4321/4885ALDH1A1 2554/4885
US-20090005597-A1 Process for Preparing Substituted Biphenyls CBR3, HRH3, CBR1 TSHR 14/4885TP53 4095/4885ALDH1A1 1911/4885

“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.