SCHEMBL4853233

SCHEMBL4853233

Brc1ccccc1Cc1ccccc1.[MgH2]

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.54
TAAR1 Q96RJ0 3/20 0.52
IDO1 P14902 2/20 0.50
CALM1 P0DP23 1/20 0.50
BCL2 P10415 1/20 0.46
BCL2L1 Q07817 1/20 0.46
CTRC Q99895 1/20 0.46
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
AOC3 Q16853 1/20 0.42
ATM Q13315 1/20 0.42

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
Benzene SCHEMBL28195073 0.98 HTR2A (0.56) HTR2ATAAR1IDO1CALM1BCL2
SCHEMBL423302 0.98 HTR2A (0.56) HTR2ATAAR1IDO1CALM1BCL2
Fluoride SCHEMBL27939369 0.95 HTR2A (0.54) HTR2ATAAR1IDO1CALM1BCL2
SCHEMBL28517240 0.89 HTR2A (0.48) HTR2ATAAR1IDO1CALM1BCL2
Boric Acid SCHEMBL28279493 0.89 HTR2A (0.48) HTR2ATAAR1IDO1CALM1BCL2
SCHEMBL25625114 0.85 TAAR1 (0.50) HTR2ATAAR1IDO1
SCHEMBL28025161 0.82 CALM1 (0.46) HTR2ATAAR1IDO1CALM1BCL2
SCHEMBL31152647 0.82 CALM1 (0.46) HTR2ATAAR1IDO1CALM1BCL2
SCHEMBL8703610 0.82 TAAR1 (0.64) TAAR1IDO1
SCHEMBL29930048 0.82 TAAR1 (0.64) TAAR1IDO1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7459555-B2 Photochromic naphthopyrans RODENSTOCK GMBH (DE) 2008-12-02 US disclosed
US-20020052499-A1 Photochromic naphthopyrans OPTISCHE WERKE G. RODENSTOCK 2002-05-02 US disclosed
US-6342459-B1 PHOTOCHROMIC COMPOUNDS AND ARTICLES OF RESIN FOR OPTHTHALMIC LENSES OPTISCHE WERKE G. RODENSTOCK (DE) 2002-01-29 US disclosed
US-6331625-B1 EYEGLASS LENSES; RAPID COLOR AND BRIGHTNESS ADJUSTMENT OPTISCHE WERKE G. RODENSTOCK (DE) 2001-12-18 US disclosed
US-6225466-B1 FOR ARTICLES MADE OF SYNTHETIC RESIN MATERIALS; RAPID DARKENING AND BRIGHTENING RATES, DURABILITY OPTISCHE WERKE G. RODENSTOCK (DE) 2001-05-01 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-20020052499-A1 Photochromic naphthopyrans BPNT1, NR2E3, BRIX1 HTR2A 2489/4885TAAR1 3314/4885IDO1 1716/4885

“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.