SCHEMBL93954

SCHEMBL93954

CCN1CCc2ccc(O)cc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.54
ESR2 Q92731 4/20 0.54
DRD2 P14416 5/20 0.49
DRD1 P21728 5/20 0.49
CHRM2 P08172 2/20 0.49
CHRM4 P08173 1/20 0.49
DRD5 P21918 4/20 0.47
DRD3 P35462 4/20 0.47
DRD4 P21917 2/20 0.42
CHRM3 P20309 1/20 0.42
HTR2A P28223 4/20 0.42
HTR2C P28335 4/20 0.42
HTR2B P41595 4/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
NFKB1 P19838 1/20 0.42
HIF1A Q16665 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
MEN1 O00255 1/20 0.39

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
Hydrochloric Acid SCHEMBL11030093 0.98 ESR1 (0.52) ESR1ESR2DRD2DRD1CHRM2
SCHEMBL4400467 0.90 CHRM2 (0.61) ESR1ESR2DRD2DRD1CHRM2
SCHEMBL14986037 0.88 CHRM2 (0.59) ESR1ESR2DRD2DRD1CHRM2
SCHEMBL30049294 0.86 DRD2 (0.49) ESR1ESR2DRD2DRD1DRD5
SCHEMBL14235096 0.81 CHRM2 (0.48) ESR1ESR2DRD2DRD1CHRM2
SCHEMBL12031043 0.80 ALDH1A1 (0.46) ESR2DRD2CHRM2DRD4CHRM3
SCHEMBL27996409 0.79 ESR1 (0.46) ESR1ESR2DRD2DRD1CHRM2
SCHEMBL14234875 0.79 ALDH1A1 (0.63) ESR1ESR2DRD2DRD1CHRM2
SCHEMBL20348513 0.79 CHRM2 (0.56) DRD2CHRM2DRD4CHRM3HTR2A
SCHEMBL2267570 0.79 HTR2A (0.45) HTR2AHTR2CHTR2BCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3113753-B2 AQUEOUS OXIDIZING COMPOSITION FOR HAIR KAO GERMANY GMBH (DE) 2026-03-18 EP disclosed
US-20230278968-A1 OXAZINE DYES AND THEIR USE IN NUCLEIC ACID AMPLIFICATION REACTIONS PROMEGA CORPORATION 2023-09-07 US disclosed
US-11492359-B2 Near-infrared nerve-sparing fluorophores OREGON HEALTH & SCIENCE UNIVERSITY (US) 2022-11-08 US disclosed
US-20210317137-A1 NEAR-INFRARED NERVE-SPARING FLUOROPHORES OREGON HEALTH & SCIENCE UNIVERSITY (US) 2021-10-14 US disclosed
US-20210317137-A1 NEAR-INFRARED NERVE-SPARING FLUOROPHORES OREGON HEALTH & SCIENCE UNIVERSITY (US) 2021-10-14 US disclosed
US-20210236657-A1 NERVE-SPECIFIC FLUOROPHORE FORMULATIONS FOR DIRECT AND SYSTEMIC ADMINISTRATION OREGON HEALTH & SCIENCE UNIVERSITY (US) 2021-08-05 US disclosed
US-20210236657-A1 NERVE-SPECIFIC FLUOROPHORE FORMULATIONS FOR DIRECT AND SYSTEMIC ADMINISTRATION OREGON HEALTH & SCIENCE UNIVERSITY (US) 2021-08-05 US disclosed
EP-3833401-A1 NERVE-SPECIFIC FLUOROPHORE FORMULATIONS FOR DIRECT AND SYSTEMIC ADMINISTRATION Oregon Health & Science University (US) 2021-06-16 EP disclosed
EP-3113753-B1 AQUEOUS OXIDIZING COMPOSITION FOR HAIR KAO GERMANY GMBH (DE) 2021-06-16 EP disclosed
EP-3829420-A2 NEAR-INFRARED NERVE-SPARING FLUOROPHORES Oregon Health & Science University (US) 2021-06-09 EP disclosed
EP-1627666-B1 Composition for dyeing keratin fibres KPSS KAO GMBH (DE) 2007-05-09 EP disclosed
US-20060174424-A1 Composition for dyeing human hair KPSS-KAO PROFESSIONAL SALON SERVICES GMBH (DE) 2006-08-10 US disclosed
EP-1676605-A1 Product for hair dyeing KPSS-Kao Professional Salon Services GmbH (DE) 2006-07-05 EP disclosed
EP-1645264-A1 Product for hair dyeing in a two chamber aerosol can KPSS-Kao Professional Salon Services GmbH (DE) 2006-04-12 EP disclosed
EP-1632218-A1 Composition for dyeing keratin fibres KPSS-Kao Professional Salon Services GmbH (DE) 2006-03-08 EP disclosed
EP-1627666-A1 Composition for dyeing keratin fibres KPSS-Kao Professional Salon Services GmbH (DE) 2006-02-22 EP disclosed
US-20050257334-A1 Composition for dyeing keratin fibers KPSS-KAO PROFESSIONAL SALON SERVICES GMBH (DE) 2005-11-24 US disclosed
US-20050257331-A1 Composition for dyeing of keratin fibres KPSS-KAO PROFESSIONAL SALON SERVICES GMBH (DE) 2005-11-24 US disclosed
EP-1598052-A1 Composition for bleaching and dyeing keratin fibres KPSS-Kao Professional Salon Services GmbH (DE) 2005-11-23 EP disclosed
EP-1559403-A1 Composition for dyeing human hair KPSS-Kao Professional Salon Services GmbH (DE) 2005-08-03 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 (7 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-11492359-B2 Near-infrared nerve-sparing fluorophores NTRK1, PMP22, GAP43 ESR1 4030/4885ESR2 2470/4885DRD2 1177/4885
US-20210236657-A1 NERVE-SPECIFIC FLUOROPHORE FORMULATIONS FOR DIRECT AND SYSTEMIC ADMINISTRATION PFAS, NPFFR2, NPFFR1 ESR1 3448/4885ESR2 4118/4885DRD2 1285/4885
US-20230278968-A1 OXAZINE DYES AND THEIR USE IN NUCLEIC ACID AMPLIFICATION REACTIONS POLRMT, POLB, POLN ESR1 1932/4885ESR2 3001/4885DRD2 3093/4885
US-20060174424-A1 Composition for dyeing human hair CYB5R3, MT-ND5, COX5A ESR1 3185/4885ESR2 3642/4885DRD2 801/4885
US-20050257331-A1 Composition for dyeing of keratin fibres KRT18, KCNH3, MT-CO3 ESR1 4326/4885ESR2 3182/4885DRD2 1549/4885
US-20210317137-A1 NEAR-INFRARED NERVE-SPARING FLUOROPHORES NTRK1, NGF, SMN1; SMN2 ESR1 3482/4885ESR2 1937/4885DRD2 2844/4885
US-20050257334-A1 Composition for dyeing keratin fibers KRT18, H1-5, CYB5R3 ESR1 4147/4885ESR2 3736/4885DRD2 1548/4885

“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.