SCHEMBL1127067

SCHEMBL1127067

C=CC(NC(=O)CCCCCCCCCCCCCCC)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASAH1 Q13510 2/20 0.61
ALDH1A1 P00352 1/20 0.61
ACER2 Q5QJU3 1/20 0.61
CERT1 Q9Y5P4 3/20 0.56
LMNA P02545 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
TSHR P16473 1/20 0.54
CYP2C19 P33261 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
UGCG Q16739 1/20 0.51
EPHX2 P34913 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
SMPD2 O60906 2/20 0.49
FAAH O00519 2/20 0.49
SMPD1 P17405 1/20 0.49
SOAT2 O75908 1/20 0.49
SOAT1 P35610 1/20 0.49

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
SCHEMBL11881562 0.84 SMN1; SMN2 (0.45) ASAH1ALDH1A1ACER2CERT1LMNA
SCHEMBL9763082 0.81 ASAH1 (0.69) ASAH1ALDH1A1ACER2CERT1UGCG
SCHEMBL4183115 0.80 ALDH1A1 (0.72) ASAH1ALDH1A1ACER2CERT1UGCG
SCHEMBL4139305 0.80 ALDH1A1 (0.72) ASAH1ALDH1A1ACER2CERT1UGCG
SCHEMBL5599045 0.80 ALDH1A1 (0.72) ASAH1ALDH1A1ACER2CERT1UGCG
SCHEMBL8312517 0.80 CYP2C19 (0.46) ASAH1ALDH1A1ACER2LMNACYP1A2
SCHEMBL4139311 0.80 ALDH1A1 (0.72) ASAH1ALDH1A1ACER2CERT1UGCG
SCHEMBL9472620 0.80 ALDH1A1 (0.72) ASAH1ALDH1A1ACER2CERT1UGCG
SCHEMBL12215278 0.80 ALDH1A1 (0.72) ASAH1ALDH1A1ACER2CERT1UGCG
SCHEMBL16714723 0.80 ALDH1A1 (0.72) ASAH1ALDH1A1ACER2CERT1UGCG

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-20110129434-A1 MOISTURIZING AGENT Cleagix, Res. Ltd. (JP) 2011-06-02 US disclosed
EP-2283807-A1 MOISTURIZING AGENT Celagix, Res. Ltd. (JP) 2011-02-16 EP disclosed
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
EP-2042912-A1 LIQUID AGENT FOR CONTACT LENS AND METHOD FOR HYDROPHILIZING CONTACT LENS BY USING THE SAME Tomey Co., Ltd. (JP) 2009-04-01 EP 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-20090124706-A1 CONTACT LENS SOLUTION AND METHOD FOR HYDROPHILIZING CONTACT LENS BY USING THE SAME CRYZ, AQP1, CRYAB ASAH1 2966/4885ALDH1A1 3962/4885ACER2 2053/4885
US-20110129434-A1 MOISTURIZING AGENT MUC1, FUT5, B3GNT2 ASAH1 140/4885ALDH1A1 501/4885ACER2 1175/4885

“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.