SCHEMBL513104

SCHEMBL513104

O=C(O)c1cc2sc3ccccc3c2s1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 3/20 0.66
ALDH1A1 P00352 6/20 0.61
NPC1 O15118 3/20 0.61
RAB9A P51151 3/20 0.61
HPGD P15428 3/20 0.61
TSHR P16473 2/20 0.61
LMNA P02545 2/20 0.61
ALOX15 P16050 2/20 0.61
GLA P06280 1/20 0.61
MAPT P10636 1/20 0.61
ALOX12 P18054 1/20 0.61
KDM4E B2RXH2 5/20 0.57
HTT P42858 2/20 0.56
MAPK1 P28482 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
BCL2L1 Q07817 1/20 0.53
MCL1 Q07820 1/20 0.46
GPR3 P46089 1/20 0.45
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43

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
SCHEMBL12606667 0.80 GPR35 (1.00) GPR35ALDH1A1NPC1RAB9AHPGD
SCHEMBL10993529 0.79 GPR35 (0.61) GPR35ALDH1A1NPC1RAB9AHPGD
SCHEMBL17340892 0.77 ALDH1A1 (0.63) ALDH1A1NPC1RAB9AHPGDTSHR
SCHEMBL9578460 0.76 ALDH1A1 (0.59) GPR35ALDH1A1NPC1RAB9AHPGD
SCHEMBL23657876 0.76 KDM4E (0.76) ALDH1A1NPC1RAB9AHPGDTSHR
SCHEMBL6999797 0.72 GPR35 (0.56) GPR35ALDH1A1NPC1RAB9AHPGD
SCHEMBL7461107 0.71 KDM4E (0.68) GPR35ALDH1A1NPC1RAB9AHPGD
SCHEMBL12391942 0.71 GPR35 (0.71) GPR35ALDH1A1NPC1RAB9AHPGD
Dibenzothiophene SCHEMBL8068874 0.71 TSHR (0.61) ALDH1A1RAB9AHPGDTSHRLMNA
Dibenzothiophene SCHEMBL4378681 0.71 GPR3 (0.88) ALDH1A1NPC1RAB9AHPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11572376-B2 Ligand compound, transition metal compound, and catalyst composition comprising the transition metal compound LG CHEM, LTD. 2023-02-07 US disclosed
US-20210179643-A1 Ligand Compound, Transition Metal Compound, and Catalyst Composition Comprising the Transition Metal Compound LG CHEM, LTD. (KR) 2021-06-17 US disclosed
US-10975110-B2 Ligand compound, transition metal compound, and catalyst composition comprising the transition metal compound LG CHEM, LTD. 2021-04-13 US disclosed
EP-3154990-B1 ROBUST PHOTOCHROMIC COMPOUNDS WITH SILICON- OR PHOSPHORUS-CONTAINING HETEROCYCLIC RING UNIV HONG KONG (CN) 2019-09-11 EP disclosed
US-20190263844-A1 Ligand Compound, Transition Metal Compound, and Catalyst Composition Comprising the Transition Metal Compound LG CHEM, LTD. (KR) 2019-08-29 US disclosed
US-9708528-B2 Robust photochromic compounds with silicon- or phosphorus-containing heterocyclic ring and the production thereof THE UNIVERSITY OF HONG KONG (HK) 2017-07-18 US disclosed
US-9708528-B2 Robust photochromic compounds with silicon- or phosphorus-containing heterocyclic ring and the production thereof THE UNIVERSITY OF HONG KONG (HK) 2017-07-18 US disclosed
WO-2015188790-A1 ROBUST PHOTOCHROMIC COMPOUNDS WITH SILICON- OR PHOSPHORUS-CONTAINING HETEROCYCLIC RING AND PRODUCTION THEREOF THE UNIVERSITY OF HONG KONG (CN) 2015-12-17 WO disclosed
US-20150361332-A1 ROBUST PHOTOCHROMIC COMPOUNDS WITH SILICON- OR PHOSPHORUS-CONTAINING HETEROCYCLIC RING AND THE PRODUCTION THEREOF THE UNIVERSITY OF HONG KONG (HK) 2015-12-17 US disclosed
US-20150361332-A1 ROBUST PHOTOCHROMIC COMPOUNDS WITH SILICON- OR PHOSPHORUS-CONTAINING HETEROCYCLIC RING AND THE PRODUCTION THEREOF THE UNIVERSITY OF HONG KONG (HK) 2015-12-17 US disclosed
EP-2477981-A1 HETEROCYCLIC MGLU5 ANTAGONISTS Recordati Ireland Limited (IE) 2012-07-25 EP disclosed
US-20120028931-A1 HETEROCYCLIC M-GLU5 ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 2012-02-02 US 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 (6 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-11572376-B2 Ligand compound, transition metal compound, and catalyst composition comprising the transition metal compound CAD, CD274, ZC3H11A GPR35 1951/4885ALDH1A1 3894/4885NPC1 2928/4885
US-20190263844-A1 Ligand Compound, Transition Metal Compound, and Catalyst Composition Comprising the Transition Metal Compound CAD, CD274, ZC3H11A GPR35 1951/4885ALDH1A1 3894/4885NPC1 2928/4885
US-20210179643-A1 Ligand Compound, Transition Metal Compound, and Catalyst Composition Comprising the Transition Metal Compound CAD, CD274, ZC3H11A GPR35 1951/4885ALDH1A1 3894/4885NPC1 2928/4885
US-20150361332-A1 ROBUST PHOTOCHROMIC COMPOUNDS WITH SILICON- OR PHOSPHORUS-CONTAINING HETEROCYCLIC RING AND THE PRODUCTION THEREOF CRY1, CRY2, P2RY10 GPR35 1592/4885ALDH1A1 2747/4885NPC1 4841/4885
US-20120028931-A1 HETEROCYCLIC M-GLU5 ANTAGONISTS OPRM1, GRM5, OPRD1 GPR35 73/4885ALDH1A1 2610/4885NPC1 4017/4885
US-10975110-B2 Ligand compound, transition metal compound, and catalyst composition comprising the transition metal compound CAD, CD274, ZC3H11A GPR35 1951/4885ALDH1A1 3894/4885NPC1 2928/4885

“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.