SCHEMBL4590113

SCHEMBL4590113

NC([C]=O)Cc1ccccc1.[Mn]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.54
SLC6A2 P23975 2/20 0.50
TAAR1 Q96RJ0 2/20 0.50
MAOA P21397 1/20 0.50
SLC6A4 P31645 1/20 0.50
SLC6A3 Q01959 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
CYP2A6 P11509 1/20 0.50
ADORA2A P29274 1/20 0.50
ADORA1 P30542 1/20 0.50
ALPI P09923 1/20 0.50
PKM P14618 1/20 0.50
PTGS1 P23219 1/20 0.50
XIAP P98170 1/20 0.50
SLC7A5 Q01650 1/20 0.50
LAP3 P28838 3/20 0.47
ANPEP P15144 2/20 0.47
CYP2D6 P10635 1/20 0.47
SLC1A3 P43003 2/20 0.46
SLC1A2 P43004 2/20 0.46

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
SCHEMBL1263137 0.98 EPHX1 (0.56) EPHX1SLC6A2TAAR1MAOASLC6A4
SCHEMBL79728 0.98 EPHX1 (0.56) EPHX1SLC6A2TAAR1MAOASLC6A4
SCHEMBL79729 0.98 EPHX1 (0.56) EPHX1SLC6A2TAAR1MAOASLC6A4
SCHEMBL2814002 0.96 EPHX1 (0.54) EPHX1SLC6A2TAAR1MAOASLC6A4
SCHEMBL5033051 0.86 SRR (0.49) EPHX1TAAR1ALPIPKMPTGS1
SCHEMBL20704751 0.86 SRR (0.49) EPHX1TAAR1ALPIPKMPTGS1
SCHEMBL10521797 0.83 EPHX1 (0.45) EPHX1SLC6A2TAAR1MAOASLC6A4
SCHEMBL6285380 0.81 LTA4H (0.61) SLC6A2MAOASLC6A3PTGS1LAP3
SCHEMBL6285385 0.81 LTA4H (0.61) SLC6A2MAOASLC6A3PTGS1LAP3
SCHEMBL3925001 0.81 LTA4H (0.61) SLC6A2MAOASLC6A3PTGS1LAP3

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-20080255032-A1 METHODS AND COMPOSITIONS FOR PREVENTING AND TREATING AGING OR PHOTODAMAGED SKIN PROCYTE CORPORATION (US) 2008-10-16 US disclosed
US-7384916-B2 Methods and compositions for preventing and treating aging or photodamaged skin PROCYTE CORPORATION (US) 2008-06-10 US disclosed
US-20060246029-A1 Methods and compositions for preventing and treating aging or photodamaged skin PROCYTE CORPORATION (US) 2006-11-02 US disclosed
US-20060018851-A1 Methods and compositions for preventing and treating hyperpigmentation of skin PROCYTE CORPORATION (US) 2006-01-26 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 (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-20060246029-A1 Methods and compositions for preventing and treating aging or photodamaged skin RBP1, RBP4, SOD1 EPHX1 1685/4885SLC6A2 3546/4885TAAR1 4714/4885
US-20060018851-A1 Methods and compositions for preventing and treating hyperpigmentation of skin RBP1, RBP4, MC1R EPHX1 1488/4885SLC6A2 2019/4885TAAR1 4505/4885
US-20080255032-A1 METHODS AND COMPOSITIONS FOR PREVENTING AND TREATING AGING OR PHOTODAMAGED SKIN RBP1, RBP4, SOD1 EPHX1 1685/4885SLC6A2 3546/4885TAAR1 4714/4885

“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.