SCHEMBL23645684

SCHEMBL23645684

CC(C)(C)[Si](C)(C)OC1CCCC2(C1)C(=O)OCc1ccccc12

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
AVPR1A P37288 3/20 0.32
OPRM1 P35372 2/20 0.31
OPRK1 P41145 2/20 0.31
OPRL1 P41146 2/20 0.31

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
SCHEMBL30291304 1.00 ALDH1A1 (0.36) ALDH1A1MAPK1AVPR1AOPRM1OPRK1
SCHEMBL23645675 0.80 ALDH1A1 (0.38) ALDH1A1MAPK1AVPR1A
SCHEMBL30291308 0.78 SIGMAR1 (0.39) ALDH1A1MAPK1OPRM1OPRL1
SCHEMBL23644292 0.78 SIGMAR1 (0.39) ALDH1A1MAPK1OPRM1OPRL1
SCHEMBL30291291 0.75 MAPK1 (0.37) ALDH1A1MAPK1AVPR1A
SCHEMBL23645474 0.75 MAPK1 (0.37) ALDH1A1MAPK1AVPR1A
SCHEMBL30291462 0.70 KDM4E (0.33) OPRM1OPRK1OPRL1
SCHEMBL23645687 0.70 KDM4E (0.33) OPRM1OPRK1OPRL1
SCHEMBL23668788 0.66 PPM1D (0.34)
SCHEMBL29509465 0.66 PPM1D (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11312724-B2 Spirocyclic tetrahydroquinazolines ASCENTAGE PHARMA (SUZHOU) CO., LTD. 2022-04-26 US disclosed
US-11312724-B2 Spirocyclic tetrahydroquinazolines ASCENTAGE PHARMA (SUZHOU) CO., LTD. 2022-04-26 US disclosed
US-20210230174-A1 SPIROCYCLIC TETRAHYDROQUINAZOLINES ASCENTAGE PHARMA (SUZHOU) CO., LTD. (CN) 2021-07-29 US disclosed
US-20210230174-A1 SPIROCYCLIC TETRAHYDROQUINAZOLINES ASCENTAGE PHARMA (SUZHOU) CO., LTD. (CN) 2021-07-29 US disclosed
WO-2021139748-A1 SPIROCYCLIC TETRAHYDROQUINAZOLINES ASCENTAGE PHARMA (SUZHOU) CO., LTD. (CN) 2021-07-15 WO disclosed
CN-113087700-A Spirocyclic tetrahydroquinazolines 苏州亚盛药业有限公司 2021-07-09 CN 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 (2 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-20210230174-A1 SPIROCYCLIC TETRAHYDROQUINAZOLINES KRAS, NRAS, HRAS ALDH1A1 349/4885MAPK1 424/4885AVPR1A 225/4885
US-11312724-B2 Spirocyclic tetrahydroquinazolines KRAS, NRAS, HRAS ALDH1A1 349/4885MAPK1 424/4885AVPR1A 225/4885

“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.