SCHEMBL9237351

SCHEMBL9237351

CC(C)C(C1CCCCC1)C1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.43
EPHX1 P07099 2/20 0.38
TP53 P04637 2/20 0.35
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
MMP2 P08253 2/20 0.34
CA9 Q16790 2/20 0.34
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL6520339 1.00 SHBG (0.43) SHBGEPHX1TP53CA12CA1
SCHEMBL6525332 1.00 SHBG (0.43) SHBGEPHX1TP53CA12CA1
SCHEMBL6524219 1.00 SHBG (0.43) SHBGEPHX1TP53CA12CA1
SCHEMBL6524071 1.00 SHBG (0.43) SHBGEPHX1TP53CA12CA1
SCHEMBL6526132 1.00 SHBG (0.43) SHBGEPHX1TP53CA12CA1
SCHEMBL6527173 1.00 SHBG (0.43) SHBGEPHX1TP53CA12CA1
SCHEMBL19332953 1.00 SHBG (0.43) SHBGEPHX1TP53CA12CA1
SCHEMBL6520191 1.00 SHBG (0.43) SHBGEPHX1TP53CA12CA1
SCHEMBL6520108 0.97 SHBG (0.39) SHBGEPHX1TP53CA12CA1
SCHEMBL4653019 0.83

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230233690-A1 ANDROGEN RECEPTOR PROTEIN DEGRADERS UNIV MICHIGAN REGENTS (US) 2023-07-27 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
WO-2021139748-A1 SPIROCYCLIC TETRAHYDROQUINAZOLINES ASCENTAGE PHARMA (SUZHOU) CO., LTD. (CN) 2021-07-15 WO disclosed
WO-2020198435-A1 SMALL MOLECULE DEGRADERS OF STAT3 THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2020-10-01 WO disclosed
US-20200115356-A1 Modulation of Bacterial Quorum Sensing With Synthetic Ligands WISCONSIN ALUMNI RESEARCH FOUNDATION 2020-04-16 US disclosed
US-20150004484-A1 ORGANIC ELECTROLYTE AND ORGANIC ELECTROLYTE STORAGE BATTERY JX NIPPON OIL & ENERGY CORPORATION (JP) 2015-01-01 US disclosed
EP-2797153-A1 ORGANIC ELECTROLYTE, AND ORGANIC ELECTROLYTE STORAGE BATTERY JX Nippon Oil & Energy Corporation (JP) 2014-10-29 EP disclosed
CN-104011928-A Organic electrolyte, and organic electrolyte storage battery JX NIPPON OIL & ENERGY CORP 2014-08-27 CN disclosed
EP-0728145-A1 ENDOTHELIN RECEPTOR ANTAGONISTS Ciba-Geigy Japan Limited (JP) 1996-08-28 EP disclosed
US-5493003-A MIXTURES OF AMINES, AMIDES AND/OR ESTERS OF TETRACARBOXYLIC ACIDS HAVING AMIDO OR ESTER GROUPS SUBSTITUTED WITH CARBOXYL, SULFO, SILYL OR SILOXY GROUPS, ELECTRONICS BASF LACKE + FARBEN AKTIENGESELLSCHAFT (DE) 1996-02-20 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 (4 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-20200115356-A1 Modulation of Bacterial Quorum Sensing With Synthetic Ligands AHCYL1, EBPL, AIP SHBG 282/4885EPHX1 3166/4885TP53 3185/4885
US-20210230174-A1 SPIROCYCLIC TETRAHYDROQUINAZOLINES KRAS, NRAS, HRAS SHBG 3242/4885EPHX1 1141/4885TP53 5/4885
US-11312724-B2 Spirocyclic tetrahydroquinazolines KRAS, NRAS, HRAS SHBG 3242/4885EPHX1 1141/4885TP53 5/4885
US-20230233690-A1 ANDROGEN RECEPTOR PROTEIN DEGRADERS AR, SHBG, CYP19A1 SHBG 2/4885EPHX1 3563/4885TP53 37/4885

“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.