SCHEMBL1972191

SCHEMBL1972191

CCCCc1c[c]cc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 2/20 0.41
▸ BCHE P06276 1/20 0.37
▸ PARP1 P09874 1/20 0.36
▸ LIPG Q9Y5X9 1/20 0.36
▸ GAA P10253 5/20 0.36
▸ KDM4E B2RXH2 5/20 0.36
▸ HTT P42858 5/20 0.36
▸ SMN1; SMN2 Q16637 5/20 0.36
▸ NPC1 O15118 4/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ RAB9A P51151 4/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ RCE1 Q9Y256 1/20 0.36
▸ CYP1A2 P05177 2/20 0.35
▸ CYP2D6 P10635 2/20 0.35

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
SCHEMBL5750525 0.93 LIPG (0.45) TLR8LIPGGAAKDM4EHTT
SCHEMBL2256350 0.93 LIPG (0.45) TLR8LIPGGAAKDM4EHTT
SCHEMBL2253344 0.93 LIPG (0.45) TLR8LIPGGAAKDM4EHTT
SCHEMBL8622063 0.89 KDM4E (0.40) GAAKDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL2251757 0.85 TLR8 (0.42) TLR8LIPGGAAHTTNPC1
SCHEMBL458630 0.81 CYP1A2 (0.38) GAAKDM4EALDH1A1KMT2ATDP1
SCHEMBL2253163 0.79 BCHE (0.39) TLR8BCHELIPGGPR84
SCHEMBL294591 0.79 SIGMAR1 (0.33) CYP1A2CYP2D6CYP2C19GPR84
SCHEMBL294592 0.79 SIGMAR1 (0.33) CYP1A2CYP2D6CYP2C19GPR84
SCHEMBL5748051 0.79 TLR8 (0.42) TLR8LIPGGAAKDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9469662-B2 Process for preparing optically active biophosphinylalkanes BASF SE (DE) 2016-10-18 — — US disclosed
EP-1916244-B1 THIOPHENE COMPOUND HAVING SULFONYL GROUP AND PROCESS FOR PRODUCING THE SAME NISSAN CHEMICAL IND LTD (JP) 2013-12-04 — — EP disclosed
CN-101282959-B Thiophene compound having sulfonyl group and method for producing same NISSAN CHEMICAL IND LTD 2013-04-17 — — CN disclosed
EP-1882694-B1 OLIGOMERS AND POLYMERS OF THIOPHENE COMPOUNDS HAVING PHOSPHORIC ESTER AND PROCESS FOR PRODUCING THE SAME NISSAN CHEMICAL IND LTD (JP) 2013-04-03 — — EP disclosed
US-8030438-B2 Thiophene compound having phosphoric ester and process for producing the same NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2011-10-04 — — US disclosed
US-8008425-B2 Thiophene compound having sulfonyl group and process for producing the same NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2011-08-30 — — US disclosed
EP-1913007-B1 PROCESS FOR PREPARING OPTICALLY ACTIVE DIPHOSPHANES BASF SE (DE) 2011-06-22 — — EP disclosed
CN-102027631-A Dye for dye-sensitized solar cell and dye-sensitized solar cell NISSAN CHEMICAL IND LTD 2011-04-20 — — CN disclosed
US-20100019229-A1 Thiophene compound having phosphoric ester and process for producing the same NISSAN CHEMICAL INDUSTRIES, LTD (JP) 2010-01-28 — — US disclosed
US-20090127491-A1 THIOPHENE COMPOUND HAVING SULFONYL GROUP AND PROCESS FOR PRODUCING THE SAME NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-05-21 — — US disclosed
CN-101282959-A Thiophene compound having sulfonyl group and method for producing same NISSAN CHEMICAL IND LTD (JP) 2008-10-08 — — CN disclosed
US-20080242893-A1 Process for Preparing Optically Active Diphosphanes BASF AKTIENGESELLSCHAFT (DE) 2008-10-02 — — US disclosed
CN-101208349-A Thiophene compound having phosphate ester and method for producing same NISSAN CHEMICAL IND LTD (JP) 2008-06-25 — — CN disclosed
EP-1916244-A1 THIOPHENE COMPOUND HAVING SULFONYL GROUP AND PROCESS FOR PRODUCING THE SAME Nissan Chemical Industries, Ltd. (JP) 2008-04-30 — — EP disclosed
EP-1913007-A1 PROCESS FOR PREPARING OPTICALLY ACTIVE DIPHOSPHANES BASF SE (DE) 2008-04-23 — — EP disclosed
EP-1882694-A1 THIOPHENE COMPOUND HAVING PHOSPHORIC ESTER AND PROCESS FOR PRODUCING THE SAME Nissan Chemical Industries, Ltd. (JP) 2008-01-30 — — EP disclosed
WO-2007012655-A1 PROCESS FOR PREPARING OPTICALLY ACTIVE DIPHOSPHANES BASF SE (DE) 2007-02-01 — — 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 (3 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-20100019229-A1 Thiophene compound having phosphoric ester and process for producing the same RRP12, NR2E1, TST TLR8 782/4885BCHE 2086/4885PARP1 4107/4885
US-20090127491-A1 THIOPHENE COMPOUND HAVING SULFONYL GROUP AND PROCESS FOR PRODUCING THE SAME TST, ABCG2, CBR3 TLR8 3921/4885BCHE 2749/4885PARP1 4632/4885
US-20080242893-A1 Process for Preparing Optically Active Diphosphanes PHOSPHO1, DCTPP1, DCPS TLR8 4348/4885BCHE 2965/4885PARP1 596/4885

“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.

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