SCHEMBL6310076

SCHEMBL6310076

CC(C)C1c2[c]cccc2-c2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
GPR3 P46089 2/20 0.34
CYP1A2 P05177 1/20 0.33
TSHR P16473 1/20 0.33
HTR2A P28223 2/20 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
SCHEMBL3919889 0.78 GPR3 (0.46) POLBMEN1KMT2AATMGPR3
SCHEMBL4634572 0.76 GPR3 (0.38) POLBMEN1KMT2AATMGPR3
SCHEMBL3701444 0.75 HTR2A (0.40) POLBGPR3CYP1A2HTR2A
SCHEMBL8744967 0.73 GPR3 (0.34) GPR3CYP1A2HTR2A
SCHEMBL7840975 0.72 KMT2A (0.35) POLBMEN1KMT2AGPR3HTR2A
SCHEMBL6424856 0.72 HTR2A (0.38) GPR3HTR2A
SCHEMBL9422237 0.71 GPR3 (0.34) POLBGPR3HTR2A
SCHEMBL6306483 0.71 HTR2A (0.42) GPR3HTR2A
SCHEMBL8086417 0.71 GPR3 (0.34) POLBGPR3HTR2A
SCHEMBL8155267 0.71 GPR3 (0.34) POLBGPR3HTR2A

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
EP-0627440-B1 Metallocenes containing 9-substituted fluorenyl compounds and use of the metallocenes PHILLIPS PETROLEUM CO (US) 1999-08-18 EP claimed
US-5610247-A Unbridged metallocenes of 9-substituted fluorenyl compounds and use thereof PHILLIPS PETROLEUM COMPANY (US) 1997-03-11 US claimed
EP-0627440-A1 9-Substituted fluorenyl compounds and the preparation and use of metallocenes thereof PHILLIPS PETROLEUM COMPANY (US) 1994-12-07 EP claimed
US-6849753-B2 Process for preparation of half-vanadocene compound NICHIA CORPORATION (JP) 2005-02-01 US disclosed
EP-1312610-B1 Process for preparation of half-vanadocene compound NICHIA CORP (JP) 2004-09-08 EP disclosed
US-20030109733-A1 Process for preparation of half-vanadocene compound UBE INDUSTRIES, LTD. (JP) 2003-06-12 US disclosed
CN-1420118-A Method for preparing semi-cyclopentadienyl vanadium NICHIA KAGAKU KOGYO KK (JP) 2003-05-28 CN disclosed
EP-1312610-A1 Process for preparation of half-vanadocene compound Nichia Corporation (JP) 2003-05-21 EP disclosed
EP-0627440-B1 Metallocenes containing 9-substituted fluorenyl compounds and use of the metallocenes PHILLIPS PETROLEUM CO (US) 1999-08-18 EP disclosed
US-5610247-A Unbridged metallocenes of 9-substituted fluorenyl compounds and use thereof PHILLIPS PETROLEUM COMPANY (US) 1997-03-11 US disclosed
EP-0627440-A1 9-Substituted fluorenyl compounds and the preparation and use of metallocenes thereof PHILLIPS PETROLEUM COMPANY (US) 1994-12-07 EP 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-20030109733-A1 Process for preparation of half-vanadocene compound CPNE4, VDAC2, VDAC1 POLB 1416/4885MEN1 2168/4885KMT2A 1599/4885

“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.