SCHEMBL816075

SCHEMBL816075

CCC(CC)c1cc[c]cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
ESR1 P03372 2/20 0.39
ESR2 Q92731 1/20 0.39
CCR5 P51681 1/20 0.32
LMNA P02545 2/20 0.31
CYP1A2 P05177 1/20 0.31
PGR P06401 1/20 0.31
CHRM2 P08172 1/20 0.31
CYP3A4 P08684 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
AR P10275 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPT P10636 1/20 0.31
CHRM1 P11229 1/20 0.31
CYP2C9 P11712 1/20 0.31
ALOX15 P16050 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
SCHEMBL6895502 0.86 ESR1 (0.40) ADRA2AADRA2BADRA2CHDAC8HDAC6
SCHEMBL29288755 0.83 NR1I2 (0.46) ADRA2AADRA2BADRA2CHDAC8HDAC6
SCHEMBL27551344 0.81 ESR1 (0.32) ADRA2AADRA2BADRA2CHDAC8HDAC6
SCHEMBL817069 0.80 ESR1 (0.42) ESR1ESR2
SCHEMBL28394070 0.80 ESR1 (0.36) ADRA2AADRA2BADRA2CESR1ESR2
SCHEMBL6162603 0.80 NR1I2 (0.55) ESR1ESR2LMNAOPRM1NR1I2
SCHEMBL28140502 0.80 NR1I2 (0.55) ESR1ESR2LMNAOPRM1NR1I2
SCHEMBL6578290 0.79 CYP17A1 (0.36) ESR1LMNACYP1A2PGRCHRM2
SCHEMBL25334 0.77 ALDH1A1 (0.40) HDAC8CYP1A2CYP2D6MAPTCYP2C9
SCHEMBL817130 0.77 NR1I2 (0.38) ESR1ESR2NR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115850329-A Cycloterpyriaryl phosphines, their preparation and use 东莞市均成高新材料有限公司 2023-03-28 CN claimed
CN-109563110-B Quinolinyldiamido transition metal complexes, their production and use 埃克森美孚化学专利公司 2021-08-20 CN claimed
CN-112876516-A N- (4-indolyl) N-heterocyclic carbene palladium complex and application thereof 昆明理工大学 2021-06-01 CN claimed
CN-111057114-A N-heterocyclic carbene, precursor imidazole salt and transition metal complex thereof, and preparation method and application thereof 东莞市均成高新材料有限公司 2020-04-24 CN claimed
EP-2520570-A1 AMINOPYRIDINE COMPOUND Ube Industries, Ltd. (JP) 2012-11-07 EP claimed
US-20120259123-A1 AMINOPYRIDINE COMPOUND UBE INDUSTRIES, LTD. (JP) 2012-10-11 US claimed
CN-102666490-A Aminopyridine compound UBE INDUSTRIES 2012-09-12 CN claimed
US-20120226036-A1 SUBSTITUTED CARBONYL COMPOUND UBE INDUSTRIES, LTD. (JP) 2012-09-06 US claimed
EP-2476678-A1 SUBSTITUTED CARBONYL COMPOUNDS Ube Industries, Ltd. (JP) 2012-07-18 EP claimed
CN-102548985-A Substituted carbonyl compounds UBE INDUSTRIES 2012-07-04 CN claimed
US-7276567-B2 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-10-02 US claimed
US-7247687-B2 Late transition metal catalysts for olefin polymerization and oligomerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-07-24 US claimed
EP-1521758-B1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEM PATENTS INC (US) 2006-05-24 EP claimed
US-20060047094-A1 Late transition metal catalysts for olefin polymerization and oligomerization EXXONMOBIL CHEMICAL PATENTS INC. 2006-03-02 US claimed
EP-1521758-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION Exxonmobil Chemical Patents Inc. (US) 2005-04-13 EP claimed
WO-2004007509-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-01-22 WO claimed
WO-2024146502-A1 WEE1 DEGRADING COMPOUNDS BEIJING NEOX BIOTECH LIMITED (CN) 2024-07-11 WO disclosed
CN-118302407-A Carbonyl compound, method for producing isocyanate compound, and isocyanate composition 旭化成株式会社 2024-07-05 CN disclosed
EP-0672044-A1 BISNADIMIDES COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1995-09-20 EP disclosed
WO-1994013669-A1 BISNADIMIDES COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1994-06-23 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 (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-20060047094-A1 Late transition metal catalysts for olefin polymerization and oligomerization MLX, LOX, LMTK3 ADRA2A 2464/4885ADRA2B 2129/4885ADRA2C 3367/4885
US-20120226036-A1 SUBSTITUTED CARBONYL COMPOUND PTGER2, PTGER1, LTB4R2 ADRA2A 49/4885ADRA2B 41/4885ADRA2C 37/4885
US-20120259123-A1 AMINOPYRIDINE COMPOUND PTGIS, QDPR, PTGIR ADRA2A 266/4885ADRA2B 104/4885ADRA2C 93/4885

“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.