SCHEMBL9670503

SCHEMBL9670503

O=C(O)CCc1ccc2cc(CCC(=O)O)ccc2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.67
FFAR1 O14842 6/20 0.59
KEAP1 Q14145 1/20 0.58
FFAR4 Q5NUL3 4/20 0.56
KDM4E B2RXH2 1/20 0.53
NPC1 O15118 1/20 0.53
LMNA P02545 1/20 0.53
TP53 P04637 1/20 0.53
CYP3A4 P08684 1/20 0.53
MAPT P10636 1/20 0.53
MAOA P21397 1/20 0.53
SLC6A2 P23975 1/20 0.53
RAB9A P51151 1/20 0.53
SLC6A3 Q01959 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51
PDPK1 O15530 1/20 0.51
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50

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
SCHEMBL1217683 0.92 CYP1A2 (0.80) CYP1A2FFAR1KEAP1FFAR4CYP2D6
SCHEMBL30403190 0.92 CYP1A2 (0.80) CYP1A2FFAR1KEAP1FFAR4CYP2D6
SCHEMBL12889161 0.92 CYP1A2 (0.59) CYP1A2FFAR1KEAP1FFAR4KDM4E
SCHEMBL151952 0.90 HCAR2 (0.57) CYP1A2FFAR1KEAP1FFAR4
SCHEMBL29921611 0.90 HCAR2 (0.57) CYP1A2FFAR1KEAP1FFAR4
Hydrochloric Acid SCHEMBL27401796 0.90 CYP1A2 (0.77) CYP1A2FFAR1KEAP1FFAR4CYP2D6
SCHEMBL5593881 0.90 CYP1A2 (0.72) CYP1A2FFAR1KEAP1FFAR4CYP2D6
SCHEMBL17996742 0.89 FFAR1 (0.57) CYP1A2FFAR1FFAR4
SCHEMBL30350669 0.89 CYP1A2 (0.56) CYP1A2FFAR1KEAP1FFAR4
SCHEMBL19510977 0.89 CYP1A2 (0.56) CYP1A2FFAR1KEAP1FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10799496-B2 Naphthylenyl compounds for long-acting injectable compositions and related methods ALKERMES PHARMA IRELAND LIMITED (IE) 2020-10-13 US disclosed
US-10799496-B2 Naphthylenyl compounds for long-acting injectable compositions and related methods ALKERMES PHARMA IRELAND LIMITED (IE) 2020-10-13 US disclosed
WO-2020012248-A1 NOVEL NAPHTHYLENYL COMPOUNDS FOR LONG-ACTING INJECTABLE COMPOSITIONS AND RELATED METHODS ALKERMES PHARMA IRELAND LIMITED (IE) 2020-01-16 WO disclosed
WO-2020012248-A1 NOVEL NAPHTHYLENYL COMPOUNDS FOR LONG-ACTING INJECTABLE COMPOSITIONS AND RELATED METHODS ALKERMES PHARMA IRELAND LIMITED (IE) 2020-01-16 WO disclosed
US-5093370-A Useful prior to insertion of tracheotomy tube or discission TOBISHI YAKUHIN KOGYO KABUSHIKI KAISHA (JP) 1992-03-03 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-10799496-B2 Naphthylenyl compounds for long-acting injectable compositions and related methods OPRL1, OPRK1, OPRM1 CYP1A2 66/4885FFAR1 2647/4885KEAP1 1268/4885

“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.