SCHEMBL1098652

SCHEMBL1098652

C=C(C)C(=O)OCc1cc(C)cc(-n2nc3ccc(F)cc3n2)c1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.38
RAB9A P51151 8/20 0.38
POLB P06746 2/20 0.37
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 4/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
HPGD P15428 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
TSHR P16473 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 3/20 0.33
LMNA P02545 2/20 0.33
TP53 P04637 1/20 0.31

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
SCHEMBL10020869 0.91 NPC1 (0.42) NPC1RAB9APOLBALDH1A1SMN1; SMN2
SCHEMBL13367072 0.88 TSHR (0.34) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL29823665 0.88 MAPT (0.32) NPC1RAB9APOLBALDH1A1SMN1; SMN2
SCHEMBL825195 0.88 MAPT (0.32) NPC1RAB9APOLBALDH1A1SMN1; SMN2
SCHEMBL1098829 0.87 NPC1 (0.36) NPC1RAB9APOLBALDH1A1SMN1; SMN2
SCHEMBL1100680 0.81 NPC1 (0.37) NPC1RAB9APOLBALDH1A1SMN1; SMN2
SCHEMBL1101121 0.78 ALDH1A1 (0.36) NPC1RAB9APOLBALDH1A1SMN1; SMN2
SCHEMBL5816097 0.78 NPC1 (0.41) NPC1RAB9APOLBALDH1A1SMN1; SMN2
SCHEMBL4445959 0.78 NPC1 (0.48) NPC1RAB9APOLBALDH1A1SMN1; SMN2
SCHEMBL29153159 0.77 TDP1 (0.33) ALDH1A1L3MBTL1TDP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153703-B2 UV/visible light absorbers for ophthalmic lens materials NOVARTIS AG (CH) 2012-04-10 US disclosed
US-20100113641-A1 UV/VISIBLE LIGHT ABSORBERS FOR OPHTHALMIC LENS MATERIALS ALCON, INC. (CH) 2010-05-06 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-20100113641-A1 UV/VISIBLE LIGHT ABSORBERS FOR OPHTHALMIC LENS MATERIALS UACA, CRYZ, CRYAA NPC1 3813/4885RAB9A 4701/4885POLB 1755/4885

“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.