SCHEMBL5440979

SCHEMBL5440979

CCCCN1C(=O)CC(=O)N(C2CCCCC2)C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
TSHR P16473 1/20 0.42
OPRL1 P41146 2/20 0.39
KDM4E B2RXH2 2/20 0.38
CDC25B P30305 1/20 0.37
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
TP53 P04637 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
ALOX15 P16050 1/20 0.35
HTT P42858 1/20 0.35
CREBBP Q92793 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GAA P10253 1/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
POLB P06746 1/20 0.34
RECQL P46063 1/20 0.34

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
SCHEMBL17835297 0.91 ALDH1A1 (0.43) ALDH1A1TSHROPRL1CYP2C9CYP2C19
SCHEMBL9749352 0.89 KMT2A (0.43) ALDH1A1TSHROPRL1KDM4ECYP2C9
SCHEMBL5448789 0.84 ALDH1A1 (0.46) ALDH1A1TSHROPRL1CYP2C9CYP2C19
SCHEMBL3423304 0.81 OPRL1 (0.38) ALDH1A1TSHROPRL1CYP2C9CYP2C19
SCHEMBL21080659 0.81 PTGS1 (0.45) ALDH1A1TSHRKDM4EMAPTGAA
SCHEMBL3422828 0.80 ALDH1A1 (0.50) ALDH1A1TSHRKDM4ECDC25BALOX15
SCHEMBL30943162 0.79 KDM4E (0.40) ALDH1A1TSHRKDM4ECYP2C9CYP2C19
SCHEMBL3422049 0.78 KMT2A (0.44) ALDH1A1OPRL1KDM4EL3MBTL1MAPT
SCHEMBL3420629 0.78 MAPT (0.49) ALDH1A1KDM4ETP53L3MBTL1MAPT
SCHEMBL31715766 0.76

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-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
EP-0346339-B1 BARBITURIC ACID COMPOUNDS, PHOTORESISTS THEREFROM AND METHOD FOR PREPARATION HOECHST CELANESE CORPORATION (US) 1992-09-09 EP disclosed
US-4902784-A 1,3 Disubstituted-5-diazobarbituric acids HOECHST CELANESE CORPORATION (US) 1990-02-20 US disclosed
EP-0346339-A1 BARBITURIC ACID COMPOUNDS, PHOTORESISTS THEREFROM AND METHOD FOR PREPARATION. HOECHST CELANESE CORP (US) 1989-12-20 EP disclosed
WO-1989005800-A1 NOVEL BARBITURIC ACID COMPOUNDS, PHOTORESISTS THEREFROM AND METHOD FOR PREPARATION HOECHST CELANESE CORPORATION (US) 1989-06-29 WO disclosed
US-4735885-A Deep UV photoresist composition with 1,3-disubstituted-5-diazobarbituric acids ALLIED CORPORATION (US) 1988-04-05 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-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 ALDH1A1 83/4885TSHR 4878/4885OPRL1 3901/4885

“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.