SCHEMBL17340892

SCHEMBL17340892

CCOC(=O)c1cc2sc3ccccc3c2s1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.63
RAB9A P51151 5/20 0.63
NPC1 O15118 4/20 0.63
HPGD P15428 4/20 0.63
LMNA P02545 4/20 0.63
MAPT P10636 4/20 0.63
TSHR P16473 3/20 0.63
GLA P06280 1/20 0.63
ALOX15 P16050 1/20 0.63
ALOX12 P18054 1/20 0.63
KDM4E B2RXH2 9/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
HTT P42858 2/20 0.57
MAPK1 P28482 1/20 0.57
GABRP O00591 1/20 0.55
GABRD O14764 1/20 0.55
GABRA1 P14867 1/20 0.55
GABRB1 P18505 1/20 0.55
GABRG2 P18507 1/20 0.55
GABRB3 P28472 1/20 0.55

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
SCHEMBL17081033 0.85 TSHR (0.47) ALDH1A1RAB9ANPC1HPGDLMNA
SCHEMBL400786 0.85 GPR35 (0.52) ALDH1A1RAB9ANPC1HPGDMAPT
SCHEMBL17448374 0.80 HDAC3 (0.49) ALDH1A1RAB9ANPC1HPGDMAPT
SCHEMBL4570574 0.78 GAA (0.46) ALDH1A1RAB9ANPC1HPGDLMNA
SCHEMBL30020347 0.77 KDM4E (0.83) ALDH1A1RAB9ANPC1HPGDLMNA
SCHEMBL513104 0.77 GPR35 (0.66) ALDH1A1RAB9ANPC1HPGDLMNA
SCHEMBL10144299 0.77 GAA (0.50) ALDH1A1RAB9ANPC1HPGDMAPT
SCHEMBL9612657 0.77 SLC9A1 (0.56) ALDH1A1RAB9ANPC1HPGDLMNA
SCHEMBL28744296 0.76 KDM4E (0.59) ALDH1A1RAB9ANPC1HPGDLMNA
SCHEMBL29913871 0.76 BCL2L1 (0.57) ALDH1A1RAB9ANPC1HPGDMAPT

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 10 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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 ALDH1A1 3894/4885RAB9A 3162/4885NPC1 2928/4885
US-20190263844-A1 Ligand Compound, Transition Metal Compound, and Catalyst Composition Comprising the Transition Metal Compound CAD, CD274, ZC3H11A ALDH1A1 3894/4885RAB9A 3162/4885NPC1 2928/4885
US-20210179643-A1 Ligand Compound, Transition Metal Compound, and Catalyst Composition Comprising the Transition Metal Compound CAD, CD274, ZC3H11A ALDH1A1 3894/4885RAB9A 3162/4885NPC1 2928/4885
US-20150361332-A1 ROBUST PHOTOCHROMIC COMPOUNDS WITH SILICON- OR PHOSPHORUS-CONTAINING HETEROCYCLIC RING AND THE PRODUCTION THEREOF CRY1, CRY2, P2RY10 ALDH1A1 2747/4885RAB9A 2453/4885NPC1 4841/4885
US-10975110-B2 Ligand compound, transition metal compound, and catalyst composition comprising the transition metal compound CAD, CD274, ZC3H11A ALDH1A1 3894/4885RAB9A 3162/4885NPC1 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.