Cyclohexane

Cyclohexane

SCHEMBL3204446

C1CCCCC1.c1ccc(COn2ccc3ccccc32)cc1

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
ALDH1A1 P00352 2/20 0.43
CDK4 P11802 4/20 0.39
CCND1 P24385 4/20 0.39
ALOX15 P16050 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
DHFR P00374 2/20 0.36
POLB P06746 1/20 0.35
HTR7 P34969 1/20 0.35
ALOX5 P09917 1/20 0.35

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
SCHEMBL29617408 0.95 TSHR (0.46) TSHRALDH1A1CDK4CCND1ALOX15
SCHEMBL3334839 0.95 TSHR (0.46) TSHRALDH1A1CDK4CCND1ALOX15
SCHEMBL4949474 0.78 LMNA (0.39) TSHRALDH1A1KMT2AMEN1ALOX5
SCHEMBL28696512 0.78 CDK4 (0.37) TSHRALDH1A1CDK4CCND1KMT2A
SCHEMBL29493186 0.76 HTR2A (0.39) TSHRALDH1A1CDK4CCND1KMT2A
SCHEMBL4954024 0.76 MAOB (0.41) TSHRALDH1A1ALOX15ALOX5
SCHEMBL28197536 0.75 CDK4 (0.42) TSHRCDK4CCND1KMT2A
SCHEMBL3576716 0.74 CDK4 (0.47) TSHRALDH1A1CDK4CCND1KMT2A
SCHEMBL30233726 0.74 CDK4 (0.47) TSHRALDH1A1CDK4CCND1KMT2A
SCHEMBL4955326 0.74 SRC (0.41) TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7683051-B2 Crystalline polymorph of bazedoxifene acetate WYETH (US) 2010-03-23 US disclosed
US-7683052-B2 Crystalline polymorph of bazedoxifene acetate WYETH (US) 2010-03-23 US disclosed
EP-1732889-A1 CRYSTALLINE POLYMORPH OF BAZEDOXIFENE ACETATE Wyeth (US) 2006-12-20 EP disclosed
EP-1732890-A1 CRYSTALLINE POLYMORPH OF A BAZEDOXIFENE ACETATE Wyeth (US) 2006-12-20 EP disclosed
US-20050250762-A1 Crystalline polymorph of bazedoxifene acetate WYETH (US) 2005-11-10 US disclosed
WO-2005100314-A1 CRYSTALLINE POLYMORPH OF BAZEDOXIFENE ACETATE WYETH (US) 2005-10-27 WO disclosed
WO-2005100316-A1 CRYSTALLINE POLYMORPH OF A BAZEDOXIFENE ACETATE WYETH (US) 2005-10-27 WO disclosed
US-20050227965-A1 Crystalline polymorph of bazedoxifene acetate WYETH (US) 2005-10-13 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 (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-20050250762-A1 Crystalline polymorph of bazedoxifene acetate CYP19A1, SHBG, NR5A1 TSHR 1926/4885ALDH1A1 2374/4885CDK4 678/4885
US-20050227965-A1 Crystalline polymorph of bazedoxifene acetate CYP19A1, SHBG, NR5A1 TSHR 1926/4885ALDH1A1 2374/4885CDK4 678/4885

“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.