SCHEMBL6805872

SCHEMBL6805872

COC(=O)CCCc1c(-c2ccc(Cl)cc2)[nH]c2ccc(I)cc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSPO P30536 1/20 0.47
TACR1 P25103 5/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
HPGD P15428 2/20 0.47
CYP2C19 P33261 2/20 0.47
HSD17B10 Q99714 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALOX5 P09917 1/20 0.45
CXCR2 P25025 4/20 0.45
MTNR1A P48039 2/20 0.43
MTNR1B P49286 2/20 0.43
HDAC1 Q13547 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL7238513 0.92 TSPO (0.56) TSPOTACR1KDM4EALDH1A1CYP1A2
SCHEMBL6810265 0.89 CXCR2 (0.56) CXCR2CYP2C9
SCHEMBL6810526 0.89 CXCR2 (0.47) CXCR2MTNR1AMTNR1BHDAC1CYP2C9
SCHEMBL28750238 0.88 CXCR2 (0.41) TSPOKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL6365302 0.86 PPARG (0.49) TSPOTACR1KDM4EALDH1A1CYP1A2
SCHEMBL7241810 0.86 CXCR2 (0.56) TSPOTACR1CXCR2CYP2C9
SCHEMBL7238595 0.86 CXCR2 (0.53) TSPOTACR1KDM4EALDH1A1CYP1A2
SCHEMBL7232831 0.84 TACR1 (0.45) TSPOTACR1KDM4EALDH1A1CYP1A2
SCHEMBL7232861 0.84 TSPO (0.47) TSPOTACR1KDM4EALDH1A1CYP1A2
SCHEMBL7241409 0.84 TSPO (0.47) TSPOTACR1KDM4EALDH1A1CYP1A2

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-20040138287-A1 Novel 5-phenyl-1h-indole derivatives as antagonists of interleukine-8 receptors LABORATOIRES FOURNIER S.A. (FR) 2004-07-15 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-20040138287-A1 Novel 5-phenyl-1h-indole derivatives as antagonists of interleukine-8 receptors CXCL8, IL1RN, CCR8 TSPO 2510/4885TACR1 187/4885KDM4E 2367/4885

“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.