SCHEMBL411494

SCHEMBL411494

C=Cc1ccc(C(=O)OC(=O)c2ccc(C(C)C)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 1/20 0.45
MAPK1 P28482 1/20 0.45
TYR P14679 1/20 0.44
TAS1R3 Q7RTX0 2/20 0.43
TAS1R1 Q7RTX1 2/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
PRSS1 P07477 1/20 0.41
ACR P10323 1/20 0.41
MITF O75030 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
ESRRG P62508 1/20 0.41
CYP2C9 P11712 1/20 0.41
CXCL12 P48061 1/20 0.41
POLB P06746 2/20 0.40
CSNK2A2 P19784 1/20 0.40
CSNK2B P67870 1/20 0.40

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
SCHEMBL440528 0.86 ALDH1A1 (0.50) ALDH1A1TAS1R3TAS1R1NPC1MAPT
SCHEMBL9699988 0.86 CYP2C9 (0.52) ALDH1A1KDM4EMAPK1TYRSMN1; SMN2
SCHEMBL24512104 0.84 TAS1R3 (0.43) ALDH1A1TAS1R3TAS1R1SMN1; SMN2NPC1
SCHEMBL463760 0.81 TDP1 (0.52) ALDH1A1KDM4ETAS1R3TAS1R1SMN1; SMN2
SCHEMBL367595 0.80 TYR (0.58) ALDH1A1KDM4EMAPK1TYRSMN1; SMN2
SCHEMBL440529 0.79 F2 (0.48) ALDH1A1MAPK1RAB9AMAPTPOLB
SCHEMBL9699992 0.79 TSHR (0.50) ALDH1A1SMN1; SMN2NPC1RAB9APRSS1
Methane SCHEMBL11025053 0.78 TYR (0.56) ALDH1A1KDM4EMAPK1TYRSMN1; SMN2
SCHEMBL8965237 0.78 KDM4E (0.58) ALDH1A1KDM4EMAPK1SMN1; SMN2NPC1
SCHEMBL27618266 0.77 TNFRSF1A (0.46) ALDH1A1MAPK1SMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8637589-B2 Silicone prepolymer solutions JOHNSON & JOHNSON VISION CARE, INC. (US) 2014-01-28 US disclosed
US-8399539-B2 Soluble silicone prepolymers JOHNSON & JOHNSON VISION CARE, INC. (US) 2013-03-19 US disclosed
US-8399539-B2 Soluble silicone prepolymers JOHNSON & JOHNSON VISION CARE, INC. (US) 2013-03-19 US disclosed
US-20120065348-A1 SOLUBLE SILICONE PREPOLYMERS TORAY INDUSTRIES, INC. (JP) 2012-03-15 US disclosed
US-20120065348-A1 SOLUBLE SILICONE PREPOLYMERS TORAY INDUSTRIES, INC. (JP) 2012-03-15 US disclosed
US-8080622-B2 Soluble silicone prepolymers JOHNSON & JOHNSON VISION CARE, INC. (US) 2011-12-20 US disclosed
US-20110077322-A1 Silicone Prepolymer Solutions TORAY INDUSTRIES, INC. (JP) 2011-03-31 US disclosed
US-7897654-B2 Silicone prepolymer solutions JOHNSON & JOHNSON VISION CARE INC. (US) 2011-03-01 US disclosed
US-20090171026-A1 SILICONE PREPOLYMER SOLUTIONS JOHNSON & JOHNSON VISION CARE, INC. 2009-07-02 US disclosed
US-20090005528-A1 SOLUBLE SILICONE PREPOLYMERS JOHNSON & JOHNSON VISION CARE, INC. 2009-01-01 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-20090005528-A1 SOLUBLE SILICONE PREPOLYMERS NOS3, NOS2, PCNA ALDH1A1 2292/4885KDM4E 3647/4885MAPK1 3212/4885

“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.