SCHEMBL5756799

SCHEMBL5756799

CCCCCCNC(=O)/C=C/C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.62
ZDHHC2 Q9UIJ5 3/20 0.61
ZDHHC20 Q5W0Z9 3/20 0.61
EGFR P00533 1/20 0.59
EPHX1 P07099 6/20 0.55
TAAR1 Q96RJ0 1/20 0.51
CASP2 P42575 1/20 0.50
THRA P10827 1/20 0.49
THRB P10828 1/20 0.49
HCAR2 Q8TDS4 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
SCHEMBL30764104 1.00 ALDH1A1 (0.62) ALDH1A1ZDHHC2ZDHHC20EGFREPHX1
SCHEMBL5362501 1.00 ALDH1A1 (0.62) ALDH1A1ZDHHC2ZDHHC20EGFREPHX1
SCHEMBL5756802 1.00 ALDH1A1 (0.62) ALDH1A1ZDHHC2ZDHHC20EGFREPHX1
SCHEMBL30764042 1.00 ALDH1A1 (0.62) ALDH1A1ZDHHC2ZDHHC20EGFREPHX1
SCHEMBL444527 1.00 ALDH1A1 (0.62) ALDH1A1ZDHHC2ZDHHC20EGFREPHX1
SCHEMBL9364410 1.00 ALDH1A1 (0.62) ALDH1A1ZDHHC2ZDHHC20EGFREPHX1
SCHEMBL24687428 1.00 ALDH1A1 (0.62) ALDH1A1ZDHHC2ZDHHC20EGFREPHX1
SCHEMBL5465005 1.00 ALDH1A1 (0.62) ALDH1A1ZDHHC2ZDHHC20EGFREPHX1
SCHEMBL1289327 1.00 ALDH1A1 (0.62) ALDH1A1ZDHHC2ZDHHC20EGFREPHX1
SCHEMBL30764058 1.00 ALDH1A1 (0.62) ALDH1A1ZDHHC2ZDHHC20EGFREPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912831-B2 Hydroxyethylpyrrolidone ethacrylate/glycidyl ethacrylate copolymers ISP INVESTMENTS LLC (US) 2024-02-27 US disclosed
EP-1140828-B1 3-AZABICYCLO¬3.1.0|HEXANE DERIVATIVES AS OPIATE RECEPTORS LIGANDS PFIZER LTD (GB) 2006-08-09 EP disclosed
US-7049444-B2 3-azabicyclo[3.1.0]hexane derivatives useful in therapy PFIZER INC. (US) 2006-05-23 US disclosed
US-20030013875-A1 3-azabicyclo[3.1.0]hexane derivatives useful in therapy PFIZER, INC. (US) 2003-01-16 US disclosed
US-20020072616-A1 3-azabicyclo[3.1.0]hexane derivatives useful in therapy PFIZER INC. 2002-06-13 US disclosed
US-6313312-B1 OPIATE RECEPTOR BINDERS; ALLERGIC DERMATITIS, PRURITUS; IRRITABLE BOWEL SYNDROME, GASTROINTESTINAL AND SKIN DISORDERS; VETERINARY MEDICINE; ANTI-ITCHING PFIZER INC 2001-11-06 US disclosed
EP-1140828-A1 3-AZABICYCLO[3.1.0]HEXANE DERIVATIVES AS OPIATE RECEPTORS LIGANDS Pfizer Limited (GB) 2001-10-10 EP disclosed
WO-2000039089-A1 3-AZABICYCLO[3.1.0.] HEXANE DERIVATIVES AS OPIATE RECEPTORS LIGANDS PFIZER LIMITED (GB) 2000-07-06 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 (3 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-20020072616-A1 3-azabicyclo[3.1.0]hexane derivatives useful in therapy OPRM1, OPRK1, OPRD1 ALDH1A1 70/4885ZDHHC2 3282/4885ZDHHC20 3354/4885
US-11912831-B2 Hydroxyethylpyrrolidone ethacrylate/glycidyl ethacrylate copolymers MMAB, PCNA, HMBS ALDH1A1 263/4885ZDHHC2 4777/4885ZDHHC20 4590/4885
US-20030013875-A1 3-azabicyclo[3.1.0]hexane derivatives useful in therapy OPRM1, OPRK1, OPRD1 ALDH1A1 70/4885ZDHHC2 3282/4885ZDHHC20 3354/4885

“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.