SCHEMBL2118565

SCHEMBL2118565

COC(=O)C1C=CC=CC1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.34
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNA4 P43681 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
SCHEMBL14394185 1.00 GPR84 (0.34) GPR84ALDH1A1CYP3A4CYP1A2CYP2D6
SCHEMBL22042208 1.00 GPR84 (0.34) GPR84ALDH1A1CYP3A4CYP1A2CYP2D6
SCHEMBL11422586 0.83 GPR84 (0.36) GPR84
SCHEMBL6965861 0.82
SCHEMBL13947268 0.80 NFKB1 (0.37) GPR84MAPK1
SCHEMBL15450820 0.79 GPR84 (0.34) GPR84
SCHEMBL7116887 0.79 GPR84 (0.37) GPR84
SCHEMBL13969444 0.79 ALDH1A1 (0.37) ALDH1A1TSHRHSD17B10
SCHEMBL14101244 0.78
SCHEMBL18598921 0.78

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
EP-4227312-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME Lg Chem, Ltd. (KR) 2023-08-16 EP disclosed
EP-2934540-B1 METHODS FOR TREATING GI TRACT DISORDERS NEUROGASTRX INC (US) 2023-08-02 EP disclosed
EP-3862350-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME LG Chem, Ltd. (KR) 2021-08-11 EP disclosed
US-9884830-B2 Synthesis of tetracyclines and analogues thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-02-06 US disclosed
US-20120093560-A1 PACKAGING AND APPLICATOR DEVICE FOR AT LEAST ONE SOLID COSMETIC COMPOSITION L'OREAL (FR) 2012-04-19 US disclosed
US-20110009371-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-01-13 US disclosed
WO-2008124150-A1 METHOD OF TREATING ENTERITIS, INTESTINAL DAMAGE, AND DIARRHEA FROM C. DIFFICILE WITH AN A2A ADENOSINE RECEPTOR AGONIST UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2008-10-16 WO disclosed
US-7196150-B2 Method for radical polymerisation in the presence of a chain transfer agent BASF AKTIENGESELLSCHAFT (DE) 2007-03-27 US disclosed
US-20060058478-A1 Method for radical polymerisation in the presence of a chain transfer agent BASF AKTIENGESELLSCHAFT (DE) 2006-03-16 US disclosed
US-5880101-A TREATMENT OF DISEASES ASSOCIATED WITH AN IMPAIRED ENERGY TURNOVER; STIMULATING ENERGY CONVERSION IN HUMAN CELLS DR. ZERLE GMBH (DE) 1999-03-09 US disclosed
WO-1995002411-A1 STABILISED POLYPEPTIDE GROWTH FACTOR FORMULATION AT LOW PH MALLINCKRODT VETERINARY LIMITED (AU) 1995-01-26 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 (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-20110009371-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF TET1, TET3, MYC GPR84 4369/4885ALDH1A1 4455/4885CYP3A4 1517/4885

“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.