SCHEMBL3842946

SCHEMBL3842946

CC1=CC(C)(C)Nc2cc(O)ccc21

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.59
KDM4E B2RXH2 6/20 0.59
MAPT P10636 4/20 0.59
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
HPGD P15428 4/20 0.58
HSD17B10 Q99714 3/20 0.58
TDP1 Q9NUW8 2/20 0.58
LMNA P02545 1/20 0.58
CYP3A4 P08684 1/20 0.58
L3MBTL1 Q9Y468 2/20 0.56
MAPK1 P28482 1/20 0.50
PGR P06401 13/20 0.49
GAA P10253 1/20 0.49

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
SCHEMBL31701364 1.00 ALDH1A1 (0.59) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL4375848 0.86 ALDH1A1 (0.69) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL941591 0.81 ALDH1A1 (0.73) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL31489985 0.81 ALDH1A1 (0.73) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL30973139 0.80 KDM4E (0.83) ALDH1A1KDM4EMAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL2174058 0.80 ALDH1A1 (0.71) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL6649160 0.79 ALDH1A1 (0.59) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL29802168 0.79 PGR (0.67) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL10894057 0.79 PGR (0.67) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL21861904 0.79 ALDH1A1 (0.59) ALDH1A1KDM4EMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220380845-A1 Asymmetric Rhodamine Dye and Use Thereof in Biological Assays Life Technologies Corporation 2022-12-01 US disclosed
US-20220380845-A1 Asymmetric Rhodamine Dye and Use Thereof in Biological Assays Life Technologies Corporation 2022-12-01 US disclosed
US-11492359-B2 Near-infrared nerve-sparing fluorophores OREGON HEALTH & SCIENCE UNIVERSITY (US) 2022-11-08 US disclosed
EP-3898841-A1 ASYMMETRIC RHODAMINE DYE AND USE THEREOF IN BIOLOGICAL ASSAYS Life Technologies Corporation (US) 2021-10-27 EP 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
CN-113195639-A Asymmetric rhodamine dyes and their use in bioassays 生命技术公司 2021-07-30 CN disclosed
EP-3833401-A1 NERVE-SPECIFIC FLUOROPHORE FORMULATIONS FOR DIRECT AND SYSTEMIC ADMINISTRATION Oregon Health & Science University (US) 2021-06-16 EP disclosed
CN-1175247-A Steroid receptor modulator compounds and methods LIGAND PHARM INC (US) 1998-03-04 CN disclosed
US-5696130-A Tricyclic steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 1997-12-09 US disclosed
US-5696133-A ADMINISTERING COMPOUND WHICH MODULATES ACTIVITY OF PROGESTERONE RECEPTOR LIGAND PHARMACEUTICALS INCORPORATED (US) 1997-12-09 US disclosed
US-5696127-A Steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 1997-12-09 US disclosed
US-5693647-A Steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 1997-12-02 US disclosed
US-5693646-A Steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 1997-12-02 US disclosed
US-5688808-A Steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 1997-11-18 US disclosed
US-5688810-A Steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 1997-11-18 US disclosed
EP-0800519-A1 STEROID RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS, INC. (US) 1997-10-15 EP disclosed
WO-1996019458-A2 STEROID RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INCORPORATED (US) 1996-06-27 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 (4 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 ALDH1A1 813/4885KDM4E 2244/4885MAPT 636/4885
US-20210236657-A1 NERVE-SPECIFIC FLUOROPHORE FORMULATIONS FOR DIRECT AND SYSTEMIC ADMINISTRATION PFAS, NPFFR2, NPFFR1 ALDH1A1 1305/4885KDM4E 3975/4885MAPT 1093/4885
US-20220380845-A1 Asymmetric Rhodamine Dye and Use Thereof in Biological Assays HNRNPR, RNASEH1, HNRNPH3 ALDH1A1 2012/4885KDM4E 4710/4885MAPT 4574/4885
US-20210317137-A1 NEAR-INFRARED NERVE-SPARING FLUOROPHORES NTRK1, NGF, SMN1; SMN2 ALDH1A1 822/4885KDM4E 4403/4885MAPT 803/4885

“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.