SCHEMBL5149366

SCHEMBL5149366

CCCOc1ccccc1-c1cccc(C(=O)O)c1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 4/20 0.62
KMT2A Q03164 1/20 0.58
FNTA P49354 1/20 0.57
FNTB P49356 1/20 0.57
PGGT1B P53609 1/20 0.57
PTPN11 Q06124 3/20 0.56
CYP2C9 P11712 1/20 0.52
TDP1 Q9NUW8 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
KDM4E B2RXH2 5/20 0.51
RXRA P19793 1/20 0.51
RXRB P28702 1/20 0.51
RXRG P48443 1/20 0.51
LMNA P02545 1/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
PKM P14618 1/20 0.50
ALDH1A1 P00352 1/20 0.50
SMN1; SMN2 Q16637 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
SCHEMBL29239975 0.92 PTPN11 (0.67) PTGER1PTPN11KDM4EALDH1A1SMN1; SMN2
SCHEMBL1133183 0.89 PTGER1 (0.65) PTGER1PTPN11CYP2C9TDP1L3MBTL1
SCHEMBL9837607 0.88 L3MBTL1 (0.52) PTGER1KMT2AFNTAFNTBPGGT1B
Trifluoroacetic Acid SCHEMBL29239980 0.85 PTPN11 (0.60) PTGER1PTPN11KDM4EALDH1A1SMN1; SMN2
SCHEMBL5096327 0.85 PTGER1 (0.74) PTGER1CYP2C9
SCHEMBL28598178 0.83 PTGER1 (0.62) PTGER1CYP2C9TDP1L3MBTL1KDM4E
SCHEMBL8014661 0.83 RXRA (0.61) KMT2APTPN11TDP1L3MBTL1KDM4E
SCHEMBL27528318 0.82 ADRB2 (0.54) PTGER1KMT2AKDM4ELMNAMAPK1
SCHEMBL417159 0.81 KAT6A (0.61) PTGER1FNTAFNTBPGGT1BTDP1
Terephthalic Acid SCHEMBL10581511 0.81 RXRA (0.62) PTPN11KDM4ERXRARXRBRXRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070060573-A1 Acyltryptophanols BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-03-15 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-20070060573-A1 Acyltryptophanols FSHR, NPY1R, NPY2R PTGER1 459/4885KMT2A 916/4885FNTA 1882/4885

“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.