SCHEMBL23645682

SCHEMBL23645682

CC1(C)OCC2(CCCC(=O)C2)c2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.33
ALDH1A1 P00352 5/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
NOTUM Q6P988 1/20 0.33
AVPR1A P37288 1/20 0.32
GAA P10253 1/20 0.32
MAPK1 P28482 1/20 0.32
KDM1A O60341 1/20 0.32
SIGMAR1 Q99720 1/20 0.31
TP53 P04637 1/20 0.31
LMNA P02545 1/20 0.30
PDK2 Q15119 1/20 0.30
PDK4 Q16654 1/20 0.30
AKR1B1 P15121 1/20 0.30

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
SCHEMBL23645453 0.73 SIGMAR1 (0.37) MEN1KMT2AMAPK1SIGMAR1TP53
SCHEMBL23645220 0.73 APAF1 (0.31) POLBALDH1A1MAPTSIGMAR1
SCHEMBL30291290 0.71 SIGMAR1 (0.49) MEN1KMT2AMAPK1KDM1ASIGMAR1
SCHEMBL23644282 0.71 SIGMAR1 (0.49) MEN1KMT2AMAPK1KDM1ASIGMAR1
SCHEMBL30291255 0.70 APAF1 (0.31) POLBMAPTSIGMAR1
SCHEMBL29656307 0.70 SIGMAR1 (0.44) ALDH1A1MEN1KMT2AMAPK1SIGMAR1
SCHEMBL23360852 0.70 SIGMAR1 (0.44) ALDH1A1MEN1KMT2AMAPK1SIGMAR1
SCHEMBL23645219 0.70 TRPA1 (0.34) ALDH1A1NOTUMSIGMAR1
SCHEMBL23644302 0.69 LDHA (0.36) POLBMEN1KMT2AGAAMAPK1
SCHEMBL23645205 0.68 AKR1B1 (0.44) KDM1AAKR1B1

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
CN-113087700-B Spirocyclic tetrahydroquinazolines 苏州亚盛药业有限公司 2023-03-14 CN disclosed
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

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 POLB 2644/4885ALDH1A1 349/4885MEN1 296/4885
US-11312724-B2 Spirocyclic tetrahydroquinazolines KRAS, NRAS, HRAS POLB 2644/4885ALDH1A1 349/4885MEN1 296/4885

“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.