SCHEMBL646169

SCHEMBL646169

CCCCCC1=CC=CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.34
CYP3A4 P08684 2/20 0.34
ESR1 P03372 2/20 0.33
ADRA2A P08913 2/20 0.33
ADORA3 P0DMS8 2/20 0.33
TACR2 P21452 2/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
KCNH2 Q12809 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
SHBG P04278 1/20 0.33
TP53 P04637 1/20 0.33
HSPD1 P10809 1/20 0.33
ADRB3 P13945 1/20 0.33
HTR2C P28335 1/20 0.33
HSPE1 P61604 1/20 0.33
HIF1A Q16665 1/20 0.33

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
Methane SCHEMBL28205579 0.98 PTGS2 (0.33) PTGS2CYP3A4ESR1ADRA2AADORA3
SCHEMBL27832533 0.98 PTGS2 (0.36) PTGS2CYP3A4ESR1ADRA2AADORA3
SCHEMBL9149230 0.98 PTGS2 (0.36) PTGS2CYP3A4ESR1ADRA2AADORA3
SCHEMBL1539757 0.98 PTGS2 (0.36) PTGS2CYP3A4ESR1ADRA2AADORA3
SCHEMBL2589165 0.98 PTGS2 (0.36) PTGS2CYP3A4ESR1ADRA2AADORA3
SCHEMBL2589979 0.98 PTGS2 (0.36) PTGS2CYP3A4ESR1ADRA2AADORA3
SCHEMBL18166883 0.98 PTGS2 (0.36) PTGS2CYP3A4ESR1ADRA2AADORA3
SCHEMBL2589096 0.98 PTGS2 (0.36) PTGS2CYP3A4ESR1ADRA2AADORA3
SCHEMBL2581422 0.98 PTGS2 (0.36) PTGS2CYP3A4ESR1ADRA2AADORA3
SCHEMBL2586965 0.98 PTGS2 (0.36) PTGS2CYP3A4ESR1ADRA2AADORA3

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
CN-104685650-B The salt of the cyclopentadiene of n-type dopant as organic electronic device 西门子公司 2018-03-27 CN claimed
US-8975427-B2 Synthesis of alkyl cyclopentadiene compounds UNIVATION TECHNOLOGIES, LLC (US) 2015-03-10 US claimed
US-20130085289-A1 Synthesis of Alkyl Cyclopentadiene Compounds UNIVATION TECHNOLOGIES, LLC (US) 2013-04-04 US claimed
EP-2563747-A1 SYNTHESIS OF ALKYL CYCLOPENTADIENE COMPOUNDS Univation Technologies, LLC (US) 2013-03-06 EP claimed
CN-102844284-A Synthesis method of alkyl cyclopentadiene compound UNIVATION TECH LLC 2012-12-26 CN claimed
WO-2011136902-A1 SYNTHESIS OF ALKYL CYCLOPENTADIENE COMPOUNDS UNIVATION TECHNOLOGIES, LLC (US) 2011-11-03 WO claimed
EP-0621963-B1 VISIBLE AND ULTRAVIOLET IRRADIATION PHOTOSENSITIVE SYSTEM FOR FILM-FORMING PIGMENTED PHOTO-CROSSLINKABLE COMPOSITIONS CELLIOSE (FR) 1999-09-22 EP claimed
EP-0621963-A1 VISIBLE AND ULTRAVIOLET IRRADIATION PHOTOSENSITIVE SYSTEM FOR FILM-FORMING PIGMENTED PHOTO-CROSSLINKABLE COMPOSITIONS CELLIOSE (FR) 1994-11-02 EP claimed
WO-1993015440-A1 VISIBLE AND ULTRAVIOLET IRRADIATION PHOTOSENSITIVE SYSTEM FOR FILM-FORMING PIGMENTED PHOTO-CROSSLINKABLE COMPOSITIONS CELLIOSE (FR) 1993-08-05 WO claimed
EP-0325617-A1 THIOLENE COMPOSITIONS BASED ON BICYCLIC 'ENE COMPOUNDS. LOCTITE CORP (US) 1989-08-02 EP claimed
US-4808638-A CROSSLINKING WITH POLYMERCAPTANS LOCTITE CORPORATION (US) 1989-02-28 US claimed
WO-1988002902-A2 THIOLENE COMPOSITIONS BASED ON BICYCLIC 'ENE COMPOUNDS LOCTITE CORPORATION (US) 1988-04-21 WO claimed
US-4329508-A Process for making alkyl cyclopentenones SCM CORPORATION (US) 1982-05-11 US claimed
US-10870618-B2 Histone deacetylase inhibitors and uses thereof MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2020-12-22 US disclosed
EP-3177630-B1 SILYLATION OF AROMATIC HETEROCYCLES BY EARTH ABUNDANT TRANSITION-METAL-FREE CATALYSTS CALIFORNIA INST OF TECHN (US) 2019-10-23 EP disclosed
US-20190308932-A1 HISTONE DEACETYLASE INHIBITORS AND USES THEREOF MEDICAL UNIVERSITY OF SOUTH CAROLINA 2019-10-10 US disclosed
US-4329508-A Process for making alkyl cyclopentenones SCM CORPORATION (US) 1982-05-11 US disclosed
US-4173517-A Electrochemical process for dicyclopentadienyl iron STUDIENGESELLSCHAFT KOHLE MBH (DE) 1979-11-06 US disclosed
US-4127497-A Michael adducts of (substituted) cyclopentadiene and esters: a process therefor and derivatives thereof THE DOW CHEMICAL COMPANY (US) 1978-11-28 US disclosed
US-3962182-A CHROMIUMIII CARBOXYLATE CATALYST AEROJET-GENERAL CORPORATION (US) 1976-06-08 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-10870618-B2 Histone deacetylase inhibitors and uses thereof HDAC1, HDAC5, HDAC3 PTGS2 3794/4885CYP3A4 3024/4885ESR1 4223/4885
US-20190308932-A1 HISTONE DEACETYLASE INHIBITORS AND USES THEREOF HDAC1, HDAC5, HDAC3 PTGS2 3794/4885CYP3A4 3024/4885ESR1 4223/4885

“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.