SCHEMBL18126611

SCHEMBL18126611

O=C(O)CCCCCc1cccc(Cl)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.66
▸ RXFP1 Q9HBX9 1/20 0.66
▸ SMN1; SMN2 Q16637 2/20 0.65
▸ ALDH1A1 P00352 1/20 0.60
▸ KMT2A Q03164 1/20 0.60
▸ NAAA Q02083 2/20 0.56
▸ PLAAT3 P53816 1/20 0.56
▸ PLAAT5 Q96KN8 1/20 0.56
▸ PLAAT2 Q9NWW9 1/20 0.56
▸ PLAAT4 Q9UL19 1/20 0.56
▸ HDAC3 O15379 1/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ ADRA1A P35348 1/20 0.55
▸ HDAC4 P56524 1/20 0.55
▸ SLC6A3 Q01959 1/20 0.55
▸ HDAC1 Q13547 1/20 0.55
▸ HDAC7 Q8WUI4 1/20 0.55
▸ HDAC2 Q92769 1/20 0.55
▸ HDAC10 Q969S8 1/20 0.55
▸ HDAC11 Q96DB2 1/20 0.55

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
SCHEMBL7829175 0.98 SMN1; SMN2 (0.67) MAPTRXFP1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL5024832 0.93 SMN1; SMN2 (0.68) MAPTRXFP1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL11037045 0.89 PLAAT3 (0.58) MAPTRXFP1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL8170713 0.88 NAAA (0.58) MAPTRXFP1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL1197247 0.88 MAPT (0.78) MAPTRXFP1SMN1; SMN2HDAC3MAPK1
SCHEMBL19612671 0.87 NAAA (0.56) MAPTRXFP1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL80581 0.86 ALDH1A1 (0.67) SMN1; SMN2ALDH1A1KMT2APLAAT3PLAAT5
SCHEMBL19612688 0.85 NAAA (0.56) SMN1; SMN2ALDH1A1KMT2ANAAAPLAAT3
SCHEMBL5859668 0.84 SMN1; SMN2 (0.56) MAPTRXFP1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL31567921 0.84 TAAR1 (0.65) NAAAPLAAT3PLAAT5PLAAT2PLAAT4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3277665-B1 INDOLE ANALOGS AS 5-OXO-ETE RECEPTOR ANTAGONISTS AND METHOD OF USE THEREOF THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING / MCGILL UNIV (CA) 2020-03-04 — — EP disclosed
US-20180086702-A1 INDOLE ANALOGS AS 5-OXO-ETE RECEPTOR ANTAGONISTS AND METHOD OF USE THEREOF THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2018-03-29 — — US disclosed
WO-2016154749-A1 INDOLE ANALOGS AS 5-OXO-ETE RECEPTOR ANTAGONISTS AND METHOD OF USE THEREOF THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2016-10-06 — — WO 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-20180086702-A1 INDOLE ANALOGS AS 5-OXO-ETE RECEPTOR ANTAGONISTS AND METHOD OF USE THEREOF HTR5A, EDNRA, HTR3E MAPT 3731/4885RXFP1 219/4885SMN1; SMN2 4553/4885

“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.

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