SCHEMBL1226475

SCHEMBL1226475

CCC=C(c1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.52
MTNR1B P49286 2/20 0.52
CHRNB2 P17787 1/20 0.47
CHRNB4 P30926 1/20 0.47
CHRNA3 P32297 1/20 0.47
CHRNA4 P43681 1/20 0.47
SIGMAR1 Q99720 4/20 0.43
ATM Q13315 1/20 0.43
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
PSMB1 P20618 1/20 0.40
PSMB5 P28074 1/20 0.40
PSMB2 P49721 1/20 0.40
TBXAS1 P24557 2/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL9506121 0.88 TSHR (0.54) MTNR1AMTNR1BCES2CES1ALDH1A1
Diphenylether SCHEMBL27555932 0.88 LTA4H (0.47) MTNR1AMTNR1BCHRNB2CHRNB4CHRNA3
SCHEMBL11248995 0.88 CYP3A4 (0.48) MTNR1AMTNR1BCHRNB2CHRNB4CHRNA3
SCHEMBL11249008 0.88 CYP3A4 (0.48) MTNR1AMTNR1BCHRNB2CHRNB4CHRNA3
SCHEMBL9506107 0.88 TSHR (0.54) MTNR1AMTNR1BCES2CES1ALDH1A1
SCHEMBL28005529 0.86 MTNR1A (0.46) MTNR1AMTNR1BCHRNB2CHRNB4CHRNA3
SCHEMBL6547170 0.84 SMN1; SMN2 (0.46) MTNR1AMTNR1BALDH1A1
SCHEMBL22423598 0.82 MTNR1A (0.39) MTNR1AMTNR1BCHRNB2CHRNB4CHRNA3
SCHEMBL1226216 0.81 SIGMAR1 (0.49) MTNR1AMTNR1BCHRNB2CHRNB4CHRNA3
SCHEMBL17305919 0.80 CES1 (0.57) ATMCES2CES1ALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240230571-A1 VOLATILE COMPOUND SOURCE LOCATING SYSTEMS US DEPARTMENT OF ENERGY 2024-07-11 US claimed
CN-117551007-A Method for increasing sulfonation degree of styrene tar 万华化学集团股份有限公司 2024-02-13 CN claimed
CN-116004290-A Method for preparing coal water slurry additive by using styrene tar 万华化学(宁波)有限公司 2023-04-25 CN claimed
US-20120326092-A1 VOLATILE ORGANIC COMPOUNDS AS DIAGNOSTIC MARKERS FOR VARIOUS TYPES OF CANCER TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2012-12-27 US claimed
US-20090075916-A1 Use of Macrolide Derivatives for Treating Acne RANBAXY LABORATORIES LIMITED (IN) 2009-03-19 US claimed
EP-0311689-A1 PROCESS FOR SELECTIVELY MONOHYDROFORMYLATING DIOLEFIN NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1989-04-19 EP claimed
EP-0304495-A1 PROCESS FOR SELECTIVELY MONOHYDROESTERIFYING DIOLEFIN NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1989-03-01 EP claimed
US-20250375123-A1 ANALYSIS OF GAS SAMPLES FOR DETERMINATION OF PHYSIOLOGICAL STATES AND DISEASE STATES UNIV NEW YORK (US) 2025-12-11 US disclosed
EP-4547629-A1 PROCESS FOR THE DEPOLYMERIZATION OF A POLYSTYRENE FEEDSTOCK BY PYROLYSIS COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2025-05-07 EP disclosed
US-20240210389-A1 THREE-DIMENSIONAL PERCOLATION ARRAY STRUCTURE AS A GAS SENSOR U.S. DEPARTMENT OF ENERGY 2024-06-27 US disclosed
CN-117551007-A Method for increasing sulfonation degree of styrene tar 万华化学集团股份有限公司 2024-02-13 CN disclosed
WO-2024003021-A1 PROCESS FOR THE DEPOLYMERIZATION OF A POLYSTYRENE FEEDSTOCK BY PYROLYSIS COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2024-01-04 WO disclosed
US-11796428-B2 Compressed open flow assay and use ESSENLIX CORPORATION (US) 2023-10-24 US disclosed
US-4493943-A MIXTURES OF DIARYLALKANES AND AROMATIC MONO-OR DI-OLEFINS NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1985-01-15 US disclosed
EP-0114385-A2 Electrical insulating oil and oil-filled electrical appliances NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1984-08-01 EP disclosed
US-4457874-A DISPERSANTS IN HYDRAULIC CEMENTS DIAMOND SHAMROCK CHEMICALS COMPANY (US) 1984-07-03 US disclosed
EP-0103868-A2 Improved electrical insulating oil and oil-filled electrical appliances NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1984-03-28 EP disclosed
EP-0090269-A1 3-Azolyl-1,2-diaryl-1-halogen-1-propenes, their preparation and their use as plant protecting agents, and preparation containing these compounds HOECHST AKTIENGESELLSCHAFT (DE) 1983-10-05 EP disclosed
US-4076530-A Dry photographic copying method for producing Te images FUJI PHOTO FILM CO., LTD. (JA) 1978-02-28 US disclosed
US-3946081-A OXIDATION CATALYSTS, GROUP V, VI, OR VII OXIDES BAYER AKTIENGESELLSCHAFT (DT) 1976-03-23 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-20090075916-A1 Use of Macrolide Derivatives for Treating Acne IL17A, ACAD10, HDAC6 MTNR1A 1158/4885MTNR1B 1043/4885CHRNB2 4882/4885

“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.