SCHEMBL9947185

SCHEMBL9947185

C=C(C)C(=O)OCCc1ccc(C)c(-n2nc3ccccc3n2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
MAPT P10636 6/20 0.45
KDM4E B2RXH2 5/20 0.45
HPGD P15428 4/20 0.45
LMNA P02545 2/20 0.45
IGF2BP2 Q9Y6M1 1/20 0.41
NPC1 O15118 7/20 0.41
RAB9A P51151 7/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
POLB P06746 4/20 0.38
TDP1 Q9NUW8 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35

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
SCHEMBL29358846 0.89 NPC1 (0.47) ALDH1A1MAPTKDM4EHPGDLMNA
SCHEMBL93485 0.89 NPC1 (0.47) ALDH1A1MAPTKDM4EHPGDLMNA
SCHEMBL14907494 0.87 ALDH1A1 (0.45) ALDH1A1MAPTKDM4EHPGDLMNA
SCHEMBL4445599 0.87 NPC1 (0.40) ALDH1A1MAPTKDM4EHPGDLMNA
SCHEMBL4446963 0.86 APP (0.39) ALDH1A1MAPTKDM4EHPGDLMNA
SCHEMBL12269844 0.86 ALDH1A1 (0.58) ALDH1A1MAPTKDM4EHPGDLMNA
SCHEMBL14540375 0.86 ALDH1A1 (0.44) ALDH1A1MAPTKDM4EHPGDLMNA
SCHEMBL31085365 0.85 ALDH1A1 (0.43) ALDH1A1MAPTKDM4EHPGDLMNA
SCHEMBL8823408 0.85 LMNA (0.43) ALDH1A1MAPTKDM4EHPGDLMNA
SCHEMBL31085351 0.84 ALDH1A1 (0.48) ALDH1A1MAPTKDM4EHPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2379512-B1 TRI-FUNCTIONAL UV-ABSORBING COMPOUNDS AND USE THEREOF NOVARTIS AG (CH) 2017-03-29 EP disclosed
US-8899745-B2 Ophthalmic lenses modified with functional groups and methods of making thereof NOVARTIS AG (CH) 2014-12-02 US disclosed
US-8324256-B2 Tri-functional UV-absorbing compounds and use thereof NOVARTIS AG (CH) 2012-12-04 US disclosed
US-20120147323-A1 OPHTHALMIC LENSES MODIFIED WITH FUNCTIONAL GROUPS AND METHODS OF MAKING THEREOF ALCON INC. (CH) 2012-06-14 US disclosed
US-20100168359-A1 TRI-FUNCTIONAL UV-ABSORBING COMPOUNDS AND USE THEREOF ALCON INC. (CH) 2010-07-01 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-20100168359-A1 TRI-FUNCTIONAL UV-ABSORBING COMPOUNDS AND USE THEREOF UACA, TCOF1, TTPA ALDH1A1 992/4885MAPT 110/4885KDM4E 2399/4885

“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.