SCHEMBL7540599

SCHEMBL7540599

CCCCCCCN(CCO)c1cccc(O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
CYP3A4 P08684 1/20 0.56
HTR7 P34969 3/20 0.48
DRD2 P14416 4/20 0.48
DRD3 P35462 4/20 0.48
OPRM1 P35372 3/20 0.48
OPRD1 P41143 3/20 0.48
OPRK1 P41145 3/20 0.48
NR1H2 P55055 1/20 0.43
NR1H3 Q13133 1/20 0.43
TSHR P16473 1/20 0.43
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
GPX4 P36969 1/20 0.40
RAB9A P51151 1/20 0.40
PAX8 Q06710 1/20 0.40
DRD1 P21728 1/20 0.39
DRD4 P21917 1/20 0.39
DRD5 P21918 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL7542537 0.94 ALDH1A1 (0.59) ALDH1A1CYP3A4HTR7DRD2DRD3
SCHEMBL16166065 0.94 ALDH1A1 (0.62) ALDH1A1CYP3A4HTR7DRD2DRD3
SCHEMBL7793517 0.94 ALDH1A1 (0.62) ALDH1A1CYP3A4HTR7DRD2DRD3
SCHEMBL9629105 0.94 ALDH1A1 (0.62) ALDH1A1CYP3A4HTR7DRD2DRD3
SCHEMBL7793677 0.94 ALDH1A1 (0.62) ALDH1A1CYP3A4HTR7DRD2DRD3
SCHEMBL6055692 0.94 ALDH1A1 (0.62) ALDH1A1CYP3A4HTR7DRD2DRD3
SCHEMBL10430297 0.94 ALDH1A1 (0.62) ALDH1A1CYP3A4HTR7DRD2DRD3
Hydrochloric Acid SCHEMBL9166655 0.92 ALDH1A1 (0.61) ALDH1A1CYP3A4HTR7DRD2DRD3
Hydrochloric Acid SCHEMBL9161840 0.92 ALDH1A1 (0.61) ALDH1A1CYP3A4HTR7DRD2DRD3
SCHEMBL3319482 0.92 ALDH1A1 (0.65) ALDH1A1CYP3A4HTR7DRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0943661-B1 Chromophoric compounds and their preparation process SIEMENS AG (DE) 2002-10-23 EP disclosed
EP-0943630-B1 Nonlinear optically active copolymers, polymers materials prepared therefrom and electro-optical and photonic devices using the same SIEMENS AG (DE) 2002-06-05 EP disclosed
US-6353059-B2 CROSSLINKING; STABLE MOLECULAR ORIENTATION SIEMENS AKTIENGESELLSCHAFT (DE) 2002-03-05 US disclosed
US-20010053818-A1 Polyadducts produced from nonlinear-optically active copolymers and polymerizable nonlinear-optically active monomers SIEMENS AKTIENGESELLSCHAFT 2001-12-20 US disclosed
US-6284889-B1 E.G, 9-(N-(N-HEPTYL)-N-(2-HYDROXYETHYL)AMINO)BENZO(D)ISOTHIAZOLO(3, 3A, 4-AB)PHEN-7,12-OXAZINE 4-DIOXIDE. SIEMENS AKTIENGESELLSCHAFT (DE) 2001-09-04 US disclosed
US-6228977-B1 HEAT RESISTANT, MOLECULAR ORIENTATION-STABLE MATERIAL PREPARED FROM NONLINEAR OPTICALLY ACTIVE CHROMOGEN COVALENTLY BOUND TO A CROSSLINKABLE OLIGO- OR POLYCYANURATE AND CURED; ELECTRO-OPTICAL DEVICES SIEMENS AKTIENGESELLSCHAFT (DE) 2001-05-08 US disclosed
US-6174961-B1 OPTICAL POLYMERS SIEMENS AKTIENGESELLSCHAFT (DE) 2001-01-16 US disclosed
US-6126867-A Nonlinear-optically active copolymers, polymer materials produced from them, and electrooptical and photonic components constructed therefrom SIEMENS AKTIENGESELLSCHAFT (DE) 2000-10-03 US disclosed
EP-0981069-A1 Nonlinear optically active copolymers SIEMENS AKTIENGESELLSCHAFT (DE) 2000-02-23 EP disclosed
EP-0943630-A1 Nonlinear optically active copolymers, polymers materials prepared therefrom and electro-optical and photonic devices using the same SIEMENS AKTIENGESELLSCHAFT (DE) 1999-09-22 EP disclosed
EP-0943661-A2 Chromophoric compounds and their preparation process SIEMENS AKTIENGESELLSCHAFT (DE) 1999-09-22 EP disclosed
EP-0941990-A2 Process for the preparation of azamethines and azamethines obtained thereby SIEMENS AKTIENGESELLSCHAFT (DE) 1999-09-15 EP disclosed
EP-0942019-A2 Non-linear optically active copolymers, polyadducts formed from it and their use in non-linear optical media SIEMENS AKTIENGESELLSCHAFT (DE) 1999-09-15 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-20010053818-A1 Polyadducts produced from nonlinear-optically active copolymers and polymerizable nonlinear-optically active monomers PARG, PARN, ACMSD ALDH1A1 1865/4885CYP3A4 2763/4885HTR7 3817/4885

“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.