SCHEMBL454877

SCHEMBL454877

CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)Nc1cccc(CC(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SELP P16109 2/20 0.55
▸ SELE P16581 2/20 0.55
▸ SELL P14151 1/20 0.55
▸ ALDH1A1 P00352 2/20 0.49
▸ FAAH O00519 2/20 0.49
▸ EPHX2 P34913 4/20 0.48
▸ MAPT P10636 3/20 0.48
▸ NR1H4 Q96RI1 1/20 0.47
▸ HDAC3 O15379 1/20 0.47
▸ HDAC4 P56524 1/20 0.47
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC7 Q8WUI4 1/20 0.47
▸ HDAC2 Q92769 1/20 0.47
▸ HDAC10 Q969S8 1/20 0.47
▸ HDAC11 Q96DB2 1/20 0.47
▸ HDAC8 Q9BY41 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47
▸ HDAC9 Q9UKV0 1/20 0.47
▸ HDAC5 Q9UQL6 1/20 0.47
▸ GAA P10253 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
SCHEMBL10077432 1.00 SELP (0.55) SELPSELESELLALDH1A1FAAH
SCHEMBL469507 1.00 SELP (0.55) SELPSELESELLALDH1A1FAAH
SCHEMBL469656 0.93 EPHX2 (0.58) SELPSELESELLALDH1A1FAAH
SCHEMBL10077351 0.85 SOAT2 (0.62) SELPSELESELLALDH1A1FAAH
SCHEMBL469464 0.85 SOAT2 (0.66) SELPSELESELLALDH1A1FAAH
SCHEMBL469579 0.84 SOAT2 (0.68) ALDH1A1FAAHEPHX2MAPTHDAC3
SCHEMBL1821209 0.82 SMN1; SMN2 (0.54) ALDH1A1FAAHMAPTNR1H4
SCHEMBL1821211 0.82 SMN1; SMN2 (0.54) ALDH1A1FAAHMAPTNR1H4
SCHEMBL17614786 0.81 KMT2A (0.56) ALDH1A1MAPTGAAHPGD
SCHEMBL469516 0.81 SOAT2 (0.71) SELPSELESELLALDH1A1FAAH

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-20160120995-A1 CONJUGATES OF POLYUNSATURATED FATTY ACIDS AND AMINE-CONTAINING COMPOUNDS AND USES THEREOF MEDWELL LAB LTD (IL) 2016-05-05 — — US disclosed
EP-2613779-A2 CONJUGATES OF POLYUNSATURATED FATTY ACIDS AND AMINE-CONTAINING COMPOUNDS AND USES THEREOF Medwell Laboratories Ltd. (IL) 2013-07-17 — — EP disclosed
US-20130158070-A1 CONJUGATES OF POLYUNSATURATED FATTY ACIDS AND AMINE-CONTAINING COMPOUNDS AND USES THEREOF MEDWELL LABORATORIES LTD. (IL) 2013-06-20 — — US disclosed
WO-2012032509-A2 CONJUGATES OF POLYUNSATURATED FATTY ACIDS AND AMINE-CONTAINING COMPOUNDS AND USES THEREOF MEDWELL LABORATORIES LTD. (IL) 2012-03-15 — — 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 (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-20130158070-A1 CONJUGATES OF POLYUNSATURATED FATTY ACIDS AND AMINE-CONTAINING COMPOUNDS AND USES THEREOF ALOX5, ALOX15B, ALOX15 SELP 1429/4885SELE 574/4885SELL 864/4885
US-20160120995-A1 CONJUGATES OF POLYUNSATURATED FATTY ACIDS AND AMINE-CONTAINING COMPOUNDS AND USES THEREOF ALOX5, ALOX15B, ALOX15 SELP 1438/4885SELE 561/4885SELL 889/4885

“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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