SCHEMBL4274557

SCHEMBL4274557

CC12CCC3C(CC3(C)C)C(C)(O1)C(O)CC2

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.57
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
RECQL P46063 1/20 0.35
USP2 O75604 1/20 0.31
HSD17B10 Q99714 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
3,7-Epoxycaryophyllan-6-Ol SCHEMBL24176356 0.73 CYP3A4 (1.00) CYP3A4ALDH1A1
3,7-Epoxycaryophyllan-6-Ol SCHEMBL24176170 0.73 CYP3A4 (1.00) CYP3A4ALDH1A1
SCHEMBL4192842 0.69 CYP3A4 (0.54) CYP3A4ALDH1A1LMNAMAPTTSHR
SCHEMBL4272327 0.68 CYP3A4 (0.41) CYP3A4ALDH1A1LMNAMAPTTSHR
SCHEMBL22417663 0.67 CYP3A4 (0.57) CYP3A4ALDH1A1LMNAMAPTRECQL
SCHEMBL29801778 0.64 ALDH1A1 (0.53) CYP3A4ALDH1A1LMNAMAPTUSP2
SCHEMBL24176299 0.64 ALDH1A1 (0.53) CYP3A4ALDH1A1LMNAMAPTUSP2
SCHEMBL15944367 0.64 ALDH1A1 (0.53) CYP3A4ALDH1A1LMNAMAPTUSP2
SCHEMBL9832207 0.62 CYP3A4 (0.46) CYP3A4LMNAMAPTTSHRMAPK1
SCHEMBL13625216 0.61

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180042899-A1 Method of Treating Transplant Rejection and Autoimmune Diseases NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-02-15 US disclosed
US-20140050694-A1 Method of Treating Transplant Rejection and Autoimmune Diseases WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2014-02-20 US disclosed
US-20090269772-A1 SYSTEMS AND METHODS FOR IDENTIFYING COMBINATIONS OF COMPOUNDS OF THERAPEUTIC INTEREST THERASIS, INC. 2009-10-29 US disclosed
US-20090143279-A1 Methods and compositions for treating metabolic disorders PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2009-06-04 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 (1 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-20090143279-A1 Methods and compositions for treating metabolic disorders PC, PCK2, CS CYP3A4 2876/4885ALDH1A1 860/4885LMNA 1929/4885

“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.