SCHEMBL7143439

SCHEMBL7143439

COc1ccc(-c2ccc(N)cc2)c(OC)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.62
CYP1A1 P04798 2/20 0.62
CYP1B1 Q16678 2/20 0.62
CYP1A2 P05177 1/20 0.62
CYP2E1 P05181 1/20 0.62
CYP2C8 P10632 1/20 0.62
CYP2D6 P10635 1/20 0.62
CYP2A6 P11509 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP4B1 P13584 1/20 0.62
CYP2B6 P20813 1/20 0.62
CYP3A5 P20815 1/20 0.62
CYP2A7 P20853 1/20 0.62
CYP3A7 P24462 1/20 0.62
CYP2F1 P24903 1/20 0.62
CYP2C18 P33260 1/20 0.62
CYP2C19 P33261 1/20 0.62
CYP2J2 P51589 1/20 0.62
CYP4F2 P78329 1/20 0.62
CYP4F8 P98187 1/20 0.62

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
SCHEMBL17599105 0.88 CYP1A1 (0.71) CYP3A4CYP1A1CYP1B1CYP1A2CYP2E1
SCHEMBL3791216 0.86 MAPT (0.52) CYP3A4CYP1A1CYP1B1CYP1A2CYP2E1
SCHEMBL2783622 0.85 DHFR (0.55) CYP3A4TDP1MAPK1ALDH1A1CYP19A1
SCHEMBL1047261 0.83 CYP1A1 (0.65) CYP3A4CYP1A1CYP1B1CYP1A2CYP2E1
SCHEMBL3794745 0.83 TDP1 (0.56) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL29655181 0.82 CYP3A4 (0.64) CYP3A4CYP1A1CYP1B1CYP1A2CYP2E1
SCHEMBL10169411 0.81 CYP1A1 (0.62) CYP3A4CYP1A1CYP1B1CYP1A2CYP2E1
SCHEMBL7218648 0.81 CYP3A4 (0.62) CYP3A4CYP1A1CYP1B1CYP1A2CYP2E1
SCHEMBL22130154 0.81 CYP3A4 (0.50) CYP3A4CYP1A1CYP1B1CYP1A2CYP2E1
SCHEMBL2096959 0.81 CYP1A1 (0.62) CYP3A4CYP1A1CYP1B1CYP1A2CYP2E1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1781675-B1 PHOSPHONATE FLUORESCENT DYES AND CONJUGATES EPOCH BIOSCIENCES INC (US) 2014-03-26 EP disclosed
US-8389745-B2 Phosphonate fluorescent dyes and conjugates ELITECH HOLDING B.V. (NL) 2013-03-05 US disclosed
US-20120116079-A1 PHOSPHONATE FLUORESCENT DYES AND CONJUGATES ELITECHGROUP MDX LLC 2012-05-10 US disclosed
US-8008522-B2 Phosphonate fluorescent dyes and conjugates ELITECH HOLDING B.V. (NL) 2011-08-30 US disclosed
US-8008522-B2 Phosphonate fluorescent dyes and conjugates ELITECH HOLDING B.V. (NL) 2011-08-30 US disclosed
US-20100261903-A1 PHOSPHONATE FLUORESCENT DYES AND CONJUGATES ELITECHGROUP MDX LLC 2010-10-14 US disclosed
US-20100261903-A1 PHOSPHONATE FLUORESCENT DYES AND CONJUGATES ELITECHGROUP MDX LLC 2010-10-14 US disclosed
US-7767834-B2 Phosphonylated fluorescent dyes and conjugates ELITECH HOLDING B.V. (NL) 2010-08-03 US disclosed
US-7767834-B2 Phosphonylated fluorescent dyes and conjugates ELITECH HOLDING B.V. (NL) 2010-08-03 US disclosed
US-7671218-B2 Phosphonate fluorescent dyes and conjugates Elitech Holdings B.V. (NL) 2010-03-02 US disclosed
EP-1258492-A1 N-substituted oligomers and methods for their synthesis, e.g. polyglycine bearing nucleic acid bases CHIRON CORPORATION (US) 2002-11-20 EP disclosed
US-5977301-A AUTOMATED AND EFFICIENT SYNTHESIS BY REACTING SOLID SUPPORT BOUND AMINE WITH AN ACYLATING SUBMONOMER TO PRODUCE A SOLID SUPPORT-BOUND AMIDE WHICH CAN BE FURTHER REACTED; ONLY REACTIVE SIDE CHAINS NEED PROTECTED CHIRON CORPORATION (US) 1999-11-02 US disclosed
US-5877278-A SOLID PHASE SYNTHESIS USING TWO SUBMONOMERS-AN ACYLATING AGENT, E.G. A HALOACETIC ACID, AND A PRIMARY AMINE; CYCLIZATION TO PRODUCE MIMETICS OF DRUGS; ELIMINATION OF THE NECESSITY OF PROTECTION GROUPS CHIRON CORPORATION (US) 1999-03-02 US disclosed
US-5831005-A ACYLATION, NUCLEOPHILIC DISPLACEMENT CYCLES CHIRON CORPORATION (US) 1998-11-03 US disclosed
EP-0789577-A4 SYNTHESIS OF N-SUBSTITUTED OLIGOMERS CHIRON CORP (US) 1998-07-22 EP disclosed
EP-0789577-A1 SYNTHESIS OF N-SUBSTITUTED OLIGOMERS CHIRON CORPORATION (US) 1997-08-20 EP disclosed
WO-1996040202-A1 SYNTHESIS OF N-SUBSTITUTED OLIGOMERS CHIRON CORPORATION (US) 1996-12-19 WO disclosed
US-5480871-A TREATMENT OF BENIGN PROSTATIC HYPERPLASIA CHIRON CORPORATION (US) 1996-01-02 US disclosed
US-5447916-A Hypotensive agents CHIRON CORPORATION (US) 1995-09-05 US disclosed
WO-1995004072-A1 PEPTOID ALPHA-1 ADRENERGIC RECEPTOR LIGANDS CHIRON CORPORATION (US) 1995-02-09 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 (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-20100261903-A1 PHOSPHONATE FLUORESCENT DYES AND CONJUGATES PHOSPHO1, PFAS, PHPT1 CYP3A4 3188/4885CYP1A1 4265/4885CYP1B1 3997/4885

“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.