SCHEMBL4187728

SCHEMBL4187728

CCCCCCNC(=O)COc1ccc(-c2ccc(C(=O)OCC)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.55
TSHR P16473 1/20 0.53
RECQL P46063 1/20 0.53
RARB P10826 4/20 0.53
RARG P13631 1/20 0.53
MGLL Q99685 1/20 0.51
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.49
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KCNH2 Q12809 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48
FAAH O00519 1/20 0.47
ACHE P22303 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
SCHEMBL4178560 0.86 RARB (0.67) TSHRRECQLRARBRARGITGB3
SCHEMBL8533567 0.82 RARB (0.71) TSHRRARBALDH1A1MAPTNPC1
SCHEMBL8181561 0.82 RARB (0.71) TSHRRARBALDH1A1MAPTNPC1
SCHEMBL5351127 0.82 RARB (0.71) TSHRRARBALDH1A1MAPTNPC1
SCHEMBL13527301 0.81 RARB (0.68) TSHRRARBNPC1RAB9ASMN1; SMN2
SCHEMBL7342399 0.80 KCNH2 (0.67) KMT2ATSHRRARBMAPTNPC1
SCHEMBL15060975 0.80 KCNH2 (0.67) KMT2ATSHRRARBMAPTNPC1
SCHEMBL7195953 0.79 TSHR (0.63) KMT2ATSHRRECQLALDH1A1ITGB3
SCHEMBL7195903 0.79 TSHR (0.63) KMT2ATSHRRECQLALDH1A1ITGB3
SCHEMBL10599988 0.78 RECQL (0.77) KMT2ATSHRRECQLNPC1

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-20090176837-A1 COMPOUNDS WITH ACTIVITY AT RETINOIC ACID RECEPTORS SONY CORPORATION (JP) 2009-07-09 US disclosed
EP-1907347-A2 COMPOUNDS WITH ACTIVITY AT RETINOIC ACID RECEPTORS Arcadia Pharmaceuticals Inc. (US) 2008-04-09 EP disclosed
WO-2007009083-A2 COMPOUNDS WITH ACTIVITY AT RETINOIC ACID RECEPTORS ACADIA PHARMACEUTICALS INC. (US) 2007-01-18 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-20090176837-A1 COMPOUNDS WITH ACTIVITY AT RETINOIC ACID RECEPTORS RARB, RARA, RARG KMT2A 2499/4885TSHR 358/4885RECQL 1252/4885

“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.