SCHEMBL17341863

SCHEMBL17341863

COc1cc(-c2ccccc2)sc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.44
HPGD P15428 8/20 0.44
RAB9A P51151 5/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
NPC1 O15118 3/20 0.44
TSHR P16473 1/20 0.44
TUBB4A P04350 2/20 0.43
TUBB P07437 2/20 0.43
TUBA3C P0DPH7 2/20 0.43
TUBA1B P68363 2/20 0.43
TUBA4A P68366 2/20 0.43
TUBB4B P68371 2/20 0.43
TUBB3 Q13509 2/20 0.43
TUBB2A Q13885 2/20 0.43
TUBB8 Q3ZCM7 2/20 0.43
TUBA3E Q6PEY2 2/20 0.43
TUBA1A Q71U36 2/20 0.43
TUBA1C Q9BQE3 2/20 0.43
TUBB6 Q9BUF5 2/20 0.43
TUBB2B Q9BVA1 2/20 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
SCHEMBL13713790 0.85 TUBB4A (0.46) ALDH1A1HPGDSMN1; SMN2TUBB4ATUBB
SCHEMBL17343660 0.79 ALDH1A1 (0.43) ALDH1A1HPGDRAB9ASMN1; SMN2NPC1
SCHEMBL10447802 0.77 TUBB4A (0.57) ALDH1A1HPGDRAB9ASMN1; SMN2NPC1
SCHEMBL6812091 0.76 MAPT (0.40) ALDH1A1HPGDRAB9ASMN1; SMN2NPC1
SCHEMBL114000 0.75 HSD17B1 (0.47) ALDH1A1HPGDRAB9ASMN1; SMN2NPC1
SCHEMBL8325772 0.75 ERN1 (0.43) ALDH1A1HPGDRAB9ASMN1; SMN2NPC1
SCHEMBL9875040 0.75 ALDH1A1 (0.40) ALDH1A1HPGDRAB9ASMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL9874861 0.75 TUBB4A (0.56) ALDH1A1HPGDRAB9ASMN1; SMN2NPC1
SCHEMBL10205947 0.74 PLA2G10 (0.49) ALDH1A1HPGDRAB9ASMN1; SMN2NPC1
SCHEMBL23449309 0.73 ALDH1A1 (0.44) ALDH1A1HPGDRAB9ASMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3154990-B1 ROBUST PHOTOCHROMIC COMPOUNDS WITH SILICON- OR PHOSPHORUS-CONTAINING HETEROCYCLIC RING UNIV HONG KONG (CN) 2019-09-11 EP 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

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-20150361332-A1 ROBUST PHOTOCHROMIC COMPOUNDS WITH SILICON- OR PHOSPHORUS-CONTAINING HETEROCYCLIC RING AND THE PRODUCTION THEREOF CRY1, CRY2, P2RY10 ALDH1A1 2747/4885HPGD 1853/4885RAB9A 2453/4885

“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.