SCHEMBL13864007

SCHEMBL13864007

C=Cc1ccc(CNC(=O)C(C)C2CCCCC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
HPGD P15428 2/20 0.44
ITGB3 P05106 1/20 0.43
ITGB1 P05556 1/20 0.43
ITGAV P06756 1/20 0.43
ITGA5 P08648 1/20 0.43
NPC1 O15118 2/20 0.41
EPHX1 P07099 5/20 0.41
MMP1 P03956 1/20 0.39
FCER2 P06734 1/20 0.39
POLB P06746 2/20 0.39
MAPT P10636 2/20 0.39
HDAC6 Q9UBN7 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
ALDH1A1 P00352 2/20 0.38

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
SCHEMBL5862834 0.81 HPGD (0.56) RAB9ASMN1; SMN2HPGDNPC1EPHX1
SCHEMBL29440274 0.79 ERCC1 (0.44) HPGDMAPTLMNA
SCHEMBL10660916 0.79 ERCC1 (0.44) HPGDMAPTLMNA
SCHEMBL27353818 0.79 ERCC1 (0.55) HPGDMAPTHDAC1LMNA
SCHEMBL10133051 0.78 HRH3 (0.53) RAB9ASMN1; SMN2HPGDNPC1EPHX1
SCHEMBL10133049 0.76 LMNA (0.51) RAB9ASMN1; SMN2HPGDNPC1EPHX1
SCHEMBL16660169 0.75 LMNA (0.48) HPGDMAPTALDH1A1LMNA
SCHEMBL10133048 0.75 HTR2C (0.55) RAB9ASMN1; SMN2HPGDEPHX1LMNA
SCHEMBL15292580 0.74 CA1 (0.44) MAPTLMNA
SCHEMBL17335713 0.72 CTSD (0.56)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090124706-A1 CONTACT LENS SOLUTION AND METHOD FOR HYDROPHILIZING CONTACT LENS BY USING THE SAME TOMEY CO., LTD (JP) 2009-05-14 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-20090124706-A1 CONTACT LENS SOLUTION AND METHOD FOR HYDROPHILIZING CONTACT LENS BY USING THE SAME CRYZ, AQP1, CRYAB RAB9A 3391/4885SMN1; SMN2 4314/4885HPGD 1264/4885

“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.