SCHEMBL11530896

SCHEMBL11530896

Cc1ccc2c(c1)C1C=CC2C1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.47
CHRNA4 P43681 1/20 0.47
HTR2C P28335 3/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
KMT2A Q03164 1/20 0.37
ACHE P22303 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2B P41595 1/20 0.36
CYP1A2 P05177 2/20 0.35
CYP2A6 P11509 2/20 0.35
SRD5A1 P18405 2/20 0.33
NOS3 P29474 2/20 0.33
NOS1 P29475 2/20 0.33
NOS2 P35228 2/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL4406720 0.73 CHRNB2 (0.47) CHRNB2CHRNA4HTR2CCA1CA2
SCHEMBL3228472 0.73 CHRNB2 (0.47) CHRNB2CHRNA4CA1CA2KMT2A
SCHEMBL25795818 0.72 ALDH1A1 (0.38) CHRNB2CHRNA4KMT2ACYP1A2
SCHEMBL853286 0.69 CHRNB4 (0.40) KMT2AHTR2ASLC6A2SLC6A3
SCHEMBL11527043 0.69 CYP1A2 (0.44) KMT2ACYP1A2CYP2A6
SCHEMBL4401558 0.68 ALDH1A1 (0.38) CYP2A6SMN1; SMN2
SCHEMBL27274450 0.68 CHRNB2 (0.68) CHRNB2CHRNA4HTR2CKMT2AACHE
SCHEMBL16958181 0.67 CHRNB2 (0.61) CHRNB2CHRNA4HTR2CCA1CA2
SCHEMBL21980046 0.67 CHRNB2 (0.46) CHRNB2CHRNA4HTR2CCA1CA2
SCHEMBL451767 0.66 CHRNB4 (0.54) CHRNB2CHRNA4ACHENOS3NOS1

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
US-20240025838-A1 ESTER COMPOUND MITSUI CHEMICALS, INC. (JP) 2024-01-25 US disclosed
US-4132750-A RING OPENING POLYMERIZATION OF NORBORNENE DERIVATIVES SHOWA DENKO K.K. (JP) 1979-01-02 US disclosed
US-4105608-A HIGH IMPACT COMPOSITION OF RING-OPENING POLYMERIZATION PRODUCT SHOWA DENKO K.K. (JP) 1978-08-08 US disclosed
US-4104325-A Resin composition comprising cyano-substituted norborene polymers blended with graft copolymers SHOWA DENKO K.K. (JP) 1978-08-01 US disclosed
US-4080491-A CATALYST CONTAINS ORGANOMETALLIC COMPOUND AND THE REACTION PRODUCT OF TUNGSTEN OR MOLYBDENUM OXIDE AND A PHOSPHOROUS HALIDE OR OXYHALIDE SHOWA DENKO K.K. (JA) 1978-03-21 US disclosed
US-4059561-A AND A HALOGEN COMPOUND SHOWA DENKO KABUSHIKI KAISHA (JA) 1977-11-22 US disclosed
US-4028482-A LOW VISCOSITY POLYALKENAMER SHOWA DENKO KABUSHIKI KAISHA (JA) 1977-06-07 US disclosed
US-4022954-A ADHESIVES, FLOCCULATING AGENTS, ION EXCHANGE RESINS, MOLDING AGENTS SHOWA DENKO KABUSHIKI KAISHA (JA) 1977-05-10 US disclosed
US-4021510-A HIGH IMPACT STRENGTH SHOWA DENKO KABUSHIKI KAISHA (JA) 1977-05-03 US disclosed
US-3991139-A NORBORNENE DERIVATIVES, PHENOLS, ESTER THIOETHERS SHOWA DENKO KABUSHIKI KAISHA (JA) 1976-11-09 US disclosed
US-3959234-A CATALYSTS OF ORGANOALUMINUM COMPOUNDS AND A TUNGSTEN OR MOLYBDENUM COMPOUND, RING-OPENING SHOWA DENKO KABUSHIKI KAISHA (JA) 1976-05-25 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-20240025838-A1 ESTER COMPOUND NR1H3, CYP4A11, H1-4 CHRNB2 2985/4885CHRNA4 978/4885HTR2C 2804/4885

“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.