SCHEMBL5449381

SCHEMBL5449381

CN1C(=O)CC(=O)N(C2CCCCC2)C1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 2/20 0.52
ALDH1A1 P00352 8/20 0.44
TSHR P16473 1/20 0.42
LMNA P02545 3/20 0.41
CYP2C9 P11712 3/20 0.41
CYP2C19 P33261 3/20 0.41
MAPT P10636 2/20 0.41
ALOX15 P16050 1/20 0.41
HTT P42858 1/20 0.41
CREBBP Q92793 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.39
CYP3A4 P08684 1/20 0.39
KMT2A Q03164 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRK1 P41145 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
TP53 P04637 1/20 0.37
GSK3A P49840 1/20 0.37

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
SCHEMBL26721599 0.90 OPRL1 (0.42) OPRL1ALDH1A1TSHRLMNACYP2C9
SCHEMBL3422430 0.86 CYP2C9 (0.47) OPRL1ALDH1A1TSHRLMNACYP2C9
SCHEMBL3420466 0.86 CYP2C9 (0.47) OPRL1ALDH1A1TSHRLMNACYP2C9
SCHEMBL25827593 0.83 CYP2C9 (0.44) OPRL1ALDH1A1TSHRLMNACYP2C9
SCHEMBL17835297 0.78 ALDH1A1 (0.43) OPRL1ALDH1A1TSHRLMNACYP2C9
SCHEMBL5448789 0.77 ALDH1A1 (0.46) OPRL1ALDH1A1TSHRLMNACYP2C9
SCHEMBL3420479 0.76 MAPT (0.40) OPRL1ALDH1A1TSHRLMNACYP2C9
SCHEMBL9749352 0.75 KMT2A (0.43) OPRL1ALDH1A1TSHRLMNACYP2C9
SCHEMBL5440979 0.75 ALDH1A1 (0.42) OPRL1ALDH1A1TSHRLMNACYP2C9
SCHEMBL11279187 0.74 PDE7A (0.45) OPRL1ALDH1A1TSHRLMNACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070130702-A1 Dyeing process using a specific compound containing active methylene and a compound chosen from a specific aldehyde, a specific ketone, a quinone and a diiminoisoindoline or 3-aminoisoindolone derivative L'OREAL S.A. 2007-06-14 US claimed
US-20050262647-A1 Agent for dyeing fibers containing keratin HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2005-12-01 US disclosed
US-4202975-A ANTIINFLAMMATORY ANALGESIC TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1980-05-13 US disclosed
US-4129654-A Isoxazolo[3,4-d]pyrimidines useful as antiinflammatory-analgesic agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1978-12-12 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 (2 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-20070130702-A1 Dyeing process using a specific compound containing active methylene and a compound chosen from a specific aldehyde, a specific ketone, a quinone and a diiminoisoindoline or 3-aminoisoindolone derivative KRT18, NDUFB5, NDUFB7 OPRL1 3901/4885ALDH1A1 83/4885TSHR 4878/4885
US-20050262647-A1 Agent for dyeing fibers containing keratin KRT18, CKAP4, KRTCAP2 OPRL1 3764/4885ALDH1A1 240/4885TSHR 4820/4885

“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.