SCHEMBL23645205

SCHEMBL23645205

CC1CC2(CCCC(=O)C2)c2ccccc2O1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 8/20 0.44
BRD4 O60885 1/20 0.40
CREBBP Q92793 1/20 0.40
PARP1 P09874 1/20 0.34
HTR2A P28223 6/20 0.33
HRH1 P35367 6/20 0.33
HTR2B P41595 3/20 0.33
HTR2C P28335 3/20 0.33
ACACB O00763 1/20 0.31
ACACA Q13085 1/20 0.31
KDM1A O60341 1/20 0.31
TNKS O95271 1/20 0.31
TNKS2 Q9H2K2 1/20 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
SCHEMBL30291436 1.00 AKR1B1 (0.44) AKR1B1BRD4CREBBPPARP1HTR2A
SCHEMBL28605768 0.81 AKR1B1 (0.48) AKR1B1BRD4CREBBP
SCHEMBL23644302 0.74 LDHA (0.36) TNKSTNKS2
SCHEMBL8796555 0.73 AKR1B1 (0.46) AKR1B1BRD4CREBBPHTR2AHTR2B
SCHEMBL23645220 0.70 APAF1 (0.31)
SCHEMBL23644282 0.68 SIGMAR1 (0.49) AKR1B1HTR2AHTR2BHTR2CKDM1A
SCHEMBL30291290 0.68 SIGMAR1 (0.49) AKR1B1HTR2AHTR2BHTR2CKDM1A
SCHEMBL23645682 0.68 POLB (0.33) AKR1B1KDM1A
SCHEMBL29656307 0.67 SIGMAR1 (0.44) AKR1B1HTR2AHTR2BHTR2C
SCHEMBL23360852 0.67 SIGMAR1 (0.44) AKR1B1HTR2AHTR2BHTR2C

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 5 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

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 AKR1B1 651/4885BRD4 763/4885CREBBP 1559/4885
US-11312724-B2 Spirocyclic tetrahydroquinazolines KRAS, NRAS, HRAS AKR1B1 651/4885BRD4 763/4885CREBBP 1559/4885

“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.