SCHEMBL5935781

SCHEMBL5935781

CCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)c1ccc2ccccc2n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.57
▸ TSHR P16473 3/20 0.57
▸ LMNA P02545 2/20 0.57
▸ KDM4E B2RXH2 4/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ TP53 P04637 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ MAPT P10636 5/20 0.53
▸ POLB P06746 2/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ L3MBTL1 Q9Y468 4/20 0.50
▸ TDP1 Q9NUW8 2/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ HPGD P15428 1/20 0.49
▸ HDAC3 O15379 1/20 0.48
▸ HDAC4 P56524 1/20 0.48
▸ HDAC1 Q13547 1/20 0.48
▸ HDAC7 Q8WUI4 1/20 0.48

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
SCHEMBL28231527 0.94 KDM4E (0.58) ALDH1A1TSHRKDM4ESMN1; SMN2TP53
SCHEMBL31361527 0.86 KDM4E (0.56) ALDH1A1TSHRKDM4ESMN1; SMN2CYP3A4
SCHEMBL28434055 0.82 CYP1A2 (0.64) ALDH1A1TSHRLMNAKDM4ETP53
SCHEMBL30253505 0.82 KDM4E (0.64) ALDH1A1KDM4ESMN1; SMN2CYP3A4MAPT
SCHEMBL431290 0.82 KDM4E (0.64) ALDH1A1KDM4ESMN1; SMN2CYP3A4MAPT
SCHEMBL6049004 0.81 ALDH1A1 (0.49) ALDH1A1KDM4ESMN1; SMN2MAPTL3MBTL1
SCHEMBL28744685 0.80 KDM4E (0.51) ALDH1A1TSHRLMNAKDM4ETP53
SCHEMBL27556665 0.80 KDM4E (0.51) ALDH1A1TSHRLMNAKDM4ETP53
SCHEMBL3553596 0.80 KDM4E (0.51) ALDH1A1TSHRLMNAKDM4ETP53
SCHEMBL27673741 0.79 KDM4E (0.57) ALDH1A1TSHRLMNAKDM4ESMN1; SMN2

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-20060020135-A1 Long chain aliphatic alcohol derivatives and methods of making and using same SINO PHARMACEUTICALS CORPORATION (CA) 2006-01-26 — — US claimed
US-7615641-B2 Long chain aliphatic alcohol derivatives and methods of making and using same SINO PHARMACEUTICALS CORPORATION (CA) 2009-11-10 — — US disclosed
US-7615641-B2 Long chain aliphatic alcohol derivatives and methods of making and using same SINO PHARMACEUTICALS CORPORATION (CA) 2009-11-10 — — 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-20060020135-A1 Long chain aliphatic alcohol derivatives and methods of making and using same ADH1C, ADH5, NAPRT ALDH1A1 111/4885TSHR 3230/4885LMNA 925/4885

“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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