SCHEMBL501768

SCHEMBL501768

CC1(C)CCC(C)(C)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RXRA P19793 5/20 0.42
RARB P10826 4/20 0.42
RARG P13631 4/20 0.42
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
RXRB P28702 4/20 0.39
RXRG P48443 3/20 0.39
HTR2A P28223 1/20 0.39
RARA P10276 2/20 0.39
NOTUM Q6P988 1/20 0.38
KDM1A O60341 1/20 0.38

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
SCHEMBL29608943 1.00 RXRA (0.42) RXRARARBRARGTP53CYP1A2
Benzene SCHEMBL1140991 0.97 RXRA (0.44) RXRARARBRARGTP53CYP1A2
SCHEMBL13708946 0.85 RXRA (0.39) RXRARARBRARGTP53CYP1A2
SCHEMBL24542931 0.85 RARB (0.36) RXRARARBRARGTP53CYP1A2
SCHEMBL30312012 0.82 SIGMAR1 (0.40) RXRARARBRARGTP53RXRB
SCHEMBL23052910 0.82 RXRA (0.34) RXRARARBRARGTP53CYP1A2
SCHEMBL30695310 0.81 HTR2A (0.39) HTR2ANOTUMKDM1A
SCHEMBL2353102 0.81 HTR2A (0.39) HTR2ANOTUMKDM1A
Terephthalic Acid SCHEMBL9551780 0.80 RXRA (0.67) RXRARARBRARGCYP1A2RXRB
SCHEMBL10772805 0.80 RARB (0.33) RXRARARBRARGTP53CYP1A2

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 402 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024125653-A1 BORON-CONTAINING RESONANCE-TYPE ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 华为技术有限公司 2024-06-20 WO claimed
CN-114751928-A Polycyclic aromatic compound and preparation method thereof 吉林奥来德光电材料股份有限公司 2022-07-15 CN claimed
US-20200373508-A1 ELECTROLUMINESCENT MATERIAL INK AND ELECTROLUMINESCENT DEVICE THEREOF GUANGDONG JUHUA PRINTED DISPLAY TECHNOLOGY CO., LTD. (CN) 2020-11-26 US claimed
US-8633335-B2 Retinoid prodrug compound Research Founation Itsuu Laboratory (JP) 2014-01-21 US claimed
EP-1670787-B1 CYTOKINE INHIBITORS ITHERX PHARMA INC (US) 2012-05-30 EP claimed
US-20100286427-A1 RETINOID PRODRUG COMPOUND RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2010-11-11 US claimed
US-20100273797-A1 ALPHA-KETOAMIDES AND DERIVATIVES THEREOF ITHERX PHARMACEUTICALS, INC. 2010-10-28 US claimed
EP-2216322-A1 RETINOID PRODRUG COMPOUND Research Foundation Itsuu Laboratory (JP) 2010-08-11 EP claimed
US-20100173896-A1 Organic Compounds SAKAKI JUNICHI 2010-07-08 US claimed
US-7749999-B2 Alpha-ketoamides and derivatives thereof ITHERX PHARMACEUTICALS, INC. (US) 2010-07-06 US claimed
WO-2005023761-A2 CYTOKINE INHIBITORS KEMIA, INC. (US) 2005-03-17 WO claimed
WO-2004089916-A1 11-PHENYL-DIBENZODIAZEPINE DERIVATIVES AS RXR-ANTAGONISTS NOVARTIS AG (CH) 2004-10-21 WO claimed
EP-1294945-A2 METHOD FOR DETECTING CYTOSINE METHYLATIONS Epigenomics AG (DE) 2003-03-26 EP claimed
WO-2001098528-A2 METHOD FOR DETECTING CYTOSINE METHYLATIONS EPIGENOMICS AG (DE) 2001-12-27 WO claimed
US-5843997-A Excitatory amino acid receptor antagonists ELI LILLY AND COMPANY (US) 1998-12-01 US claimed
EP-0837063-A1 4-Aminoquinazoline derivatives PFIZER INC. (US) 1998-04-22 EP claimed
US-5576323-A CENTRAL NERVOUS SYSTEM DISORDERS ELI LILLY AND COMPANY (US) 1996-11-19 US claimed
EP-0658539-A1 Excitatory amino acid receptor antagonists ELI LILLY AND COMPANY (US) 1995-06-21 EP claimed
EP-0089302-B1 SUBSTITUTED POLYALKYLATED DERIVATIVES OF 1-INDANONES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN PERFUMES P. ROBERTET & Cie Société Anonyme dite (FR) 1985-09-11 EP claimed
US-4123469-A Process for production of bicyclic compounds INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1978-10-31 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20100286427-A1 RETINOID PRODRUG COMPOUND STRA6, RXRA, RXRB RXRA 2/4885RARB 5/4885RARG 7/4885
US-20100273797-A1 ALPHA-KETOAMIDES AND DERIVATIVES THEREOF TNF, IL1A, IL1B RXRA 2273/4885RARB 3068/4885RARG 3242/4885
US-20100173896-A1 Organic Compounds RXRB, RXRA, RXRG RXRA 2/4885RARB 40/4885RARG 60/4885

“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.