SCHEMBL7109903

SCHEMBL7109903

CCCC(O[C]=O)c1cccc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.44
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SLC6A4 P31645 3/20 0.39
SLC6A2 P23975 1/20 0.36
FFAR1 O14842 1/20 0.36
GPR84 Q9NQS5 1/20 0.36

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
SCHEMBL9572562 0.91 AOC3 (0.43) AOC3ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL9572511 0.90 KDM4E (0.43) AOC3ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL9572756 0.88 AOC3 (0.47) AOC3ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL4480225 0.80 AOC3 (0.59) AOC3ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL3897130 0.79 ELANE (0.34) SLC6A4SLC6A2GPR84
SCHEMBL9572588 0.79 AOC3 (0.44) AOC3ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL9200434 0.78 TSHR (0.44) FFAR1GPR84
SCHEMBL25887 0.77 ALDH1A1 (0.47) AOC3ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL11002882 0.77 MAPK1 (0.33) CYP1A2CYP2C9CYP2C19SLC6A2
SCHEMBL11566786 0.77 AOC3 (0.46) AOC3ALDH1A1CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10190009-B2 Ink composition, ink jet recording method using same, and colored material NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2019-01-29 US disclosed
US-20160160065-A1 INK COMPOSITION, INK JET RECORDING METHOD USING SAME, AND COLORED MATERIAL NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2016-06-09 US disclosed
EP-3015516-A1 INK COMPOSITION, INK JET RECORDING METHOD USING SAME, AND COLORED MATERIAL Nippon Kayaku Kabushiki Kaisha (JP) 2016-05-04 EP disclosed
US-20030144249-A1 Use of organophosphorous compounds for producing a medicament for treating infections JOMAA PHARMAKA GMBH (DE) 2003-07-31 US disclosed
EP-0562832-A1 Indole and indazole derivatives, for the treatment and prophylaxis of cerebral disorders, their preparation and their use SANKYO COMPANY LIMITED (JP) 1993-09-29 EP disclosed
US-4054571-A Nitrogen-containing polycyclic compounds and a process for the preparation thereof RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 1977-10-18 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-20030144249-A1 Use of organophosphorous compounds for producing a medicament for treating infections PHPT1, PPM1D, BPNT1 AOC3 666/4885ALDH1A1 1560/4885CYP1A2 1245/4885

“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.