SCHEMBL8601174

SCHEMBL8601174

CCOC(=O)c1ccccc1-c1ccc(F)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.69
SLC6A3 Q01959 2/20 0.69
TSHR P16473 1/20 0.61
KDM4E B2RXH2 4/20 0.57
LMNA P02545 3/20 0.57
ALDH1A1 P00352 5/20 0.55
HPGD P15428 3/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
GAA P10253 2/20 0.55
PRKCZ Q05513 1/20 0.53
HSD17B10 Q99714 2/20 0.53
SCN1A P35498 2/20 0.52
SCN2A Q99250 2/20 0.52
SCN3A Q9NY46 2/20 0.52
MAPT P10636 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
ALOX12 P18054 1/20 0.52
CCR6 P51684 1/20 0.52
HKDC1 Q2TB90 1/20 0.52

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
SCHEMBL3230316 0.87 TSHR (0.65) SLC6A4SLC6A3TSHRKDM4ELMNA
SCHEMBL29500171 0.87 TSHR (0.65) SLC6A4SLC6A3TSHRKDM4ELMNA
SCHEMBL27686802 0.87 TSHR (0.65) SLC6A4SLC6A3TSHRKDM4ELMNA
SCHEMBL396552 0.87 TSHR (0.69) TSHRKDM4ELMNAALDH1A1HPGD
SCHEMBL8606461 0.86 TSHR (0.62) SLC6A4SLC6A3TSHRKDM4ELMNA
Bicarbonate SCHEMBL27449726 0.85 TSHR (0.67) TSHRKDM4ELMNAALDH1A1HPGD
SCHEMBL1665510 0.85 TSHR (0.61) TSHRKDM4ELMNAALDH1A1HPGD
SCHEMBL8873262 0.84 TSHR (0.61) SLC6A4SLC6A3TSHRKDM4ELMNA
SCHEMBL7441914 0.84 ALDH1A1 (0.61) SLC6A4SLC6A3TSHRKDM4ELMNA
SCHEMBL9535875 0.84 TSHR (0.61) SLC6A4SLC6A3TSHRKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3029026-B1 NOVEL BIPHENYL DERIVATIVE AND METHOD FOR PREPARING SAME DONG A ST CO LTD (KR) 2018-12-05 EP disclosed
US-9828339-B2 Biphenyl derivatives and methods for preparing same DONG-A ST CO., LTD (KR) 2017-11-28 US disclosed
US-9828339-B2 Biphenyl derivatives and methods for preparing same DONG-A ST CO., LTD (KR) 2017-11-28 US disclosed
US-9828339-B2 Biphenyl derivatives and methods for preparing same DONG-A ST CO., LTD (KR) 2017-11-28 US disclosed
US-20160176816-A1 NOVEL BIPHENYL DERIVATIVE AND METHOD FOR PREPARING SAME DONG-A ST CO., LTD (KR) 2016-06-23 US disclosed
US-20160176816-A1 NOVEL BIPHENYL DERIVATIVE AND METHOD FOR PREPARING SAME DONG-A ST CO., LTD (KR) 2016-06-23 US disclosed
US-20160176816-A1 NOVEL BIPHENYL DERIVATIVE AND METHOD FOR PREPARING SAME DONG-A ST CO., LTD (KR) 2016-06-23 US disclosed
EP-3029026-A1 NOVEL BIPHENYL DERIVATIVE AND METHOD FOR PREPARING SAME Dong-A ST Co., Ltd. (KR) 2016-06-08 EP disclosed
EP-3029026-A1 NOVEL BIPHENYL DERIVATIVE AND METHOD FOR PREPARING SAME Dong-A ST Co., Ltd. (KR) 2016-06-08 EP disclosed
WO-2015016511-A1 NOVEL BIPHENYL DERIVATIVE AND METHOD FOR PREPARING SAME 동아에스티 주식회사 (KR) 2015-02-05 WO disclosed
WO-1998056752-A1 COMPOUNDS ACTIVE AT A NOVEL SITE ON RECEPTOR-OPERATED CALCIUM CHANNELS USEFUL FOR TREATMENT OF NEUROLOGICAL DISORDERS AND DISEASES NPS PHARMACEUTICALS, INC. (US) 1998-12-17 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 (1 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-20160176816-A1 NOVEL BIPHENYL DERIVATIVE AND METHOD FOR PREPARING SAME CHRM2, CHRM3, CHRM5 SLC6A4 675/4885SLC6A3 864/4885TSHR 318/4885

“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.