SCHEMBL19612671

SCHEMBL19612671

O=C(Cl)CCCCCc1cccc(Cl)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 2/20 0.56
▸ PLAAT3 P53816 2/20 0.52
▸ PLAAT5 Q96KN8 2/20 0.52
▸ PLAAT2 Q9NWW9 2/20 0.52
▸ PLAAT4 Q9UL19 2/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ HTR3E A5X5Y0 1/20 0.50
▸ HTR3B O95264 1/20 0.50
▸ HTR3A P46098 1/20 0.50
▸ HTR3D Q70Z44 1/20 0.50
▸ HTR3C Q8WXA8 1/20 0.50
▸ FAAH O00519 1/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ TAAR1 Q96RJ0 1/20 0.49
▸ HDAC6 Q9UBN7 1/20 0.48
▸ MAPT P10636 1/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ HPGD P15428 1/20 0.47

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
SCHEMBL19612688 0.98 NAAA (0.56) NAAAPLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL8301337 0.93 PLAAT3 (0.58) NAAAPLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL8170713 0.88 NAAA (0.58) NAAAPLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL18126611 0.87 MAPT (0.66) NAAAPLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL3252805 0.86 PLAAT3 (0.55) PLAAT3PLAAT5PLAAT2PLAAT4SMN1; SMN2
SCHEMBL11037045 0.85 PLAAT3 (0.58) NAAAPLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL7829175 0.85 SMN1; SMN2 (0.67) NAAAPLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL31567921 0.84 TAAR1 (0.65) NAAAPLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL19612566 0.82 NAAA (0.55) NAAAFAAHTAAR1HDAC6MAPT
SCHEMBL28877124 0.82 HDAC6 (0.47) NAAAFAAHHDAC6MAPTRXFP1

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
US-10174015-B2 Substituted heterocyclic derivative, preparation method and use thereof XIAMEN UNIVERSITY (CN) 2019-01-08 — — US disclosed
US-20170334896-A1 Substituted Heterocyclic Derivative, Preparation Method And Use Thereof XIAMEN UNIVERSITY (CN) 2017-11-23 — — US disclosed
CN-107074788-A Substituted heterocyclic derivatives, preparation method and application thereof 厦门大学 2017-08-18 — — CN 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 (2 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-20170334896-A1 Substituted Heterocyclic Derivative, Preparation Method And Use Thereof FAAH, NAAA, FAAH2 NAAA 2/4885PLAAT3 305/4885PLAAT5 238/4885
US-10174015-B2 Substituted heterocyclic derivative, preparation method and use thereof DHPS, CYP3A5, CYP3A4 NAAA 557/4885PLAAT3 3681/4885PLAAT5 2714/4885

“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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