SCHEMBL6550990

SCHEMBL6550990

[C-]#[N+]C(C)Cc1cccc(C=CC)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.34
AKR1C3 P42330 3/20 0.33
TAAR1 Q96RJ0 4/20 0.33
CNR2 P34972 1/20 0.33
LTB4R Q15722 1/20 0.32
LTB4R2 Q9NPC1 1/20 0.32
SIGMAR1 Q99720 2/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
SLC6A2 P23975 2/20 0.32
MAOA P21397 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
CYP2A6 P11509 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
HPGD P15428 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
SCHEMBL6550988 1.00 PNMT (0.34) PNMTAKR1C3TAAR1CNR2LTB4R
SCHEMBL7804623 0.83 GABRA1 (0.38) PNMTAKR1C3TAAR1CNR2LTB4R
SCHEMBL12152309 0.83 GABRA1 (0.38) PNMTAKR1C3TAAR1CNR2LTB4R
SCHEMBL3894782 0.82 TP53 (0.43) PNMTTAAR1SIGMAR1HTR2AHTR2C
SCHEMBL29668408 0.80 PNMT (0.44) PNMTTAAR1SIGMAR1HTR2AHTR2C
SCHEMBL13614407 0.73 OPRM1 (0.40) AKR1C3TAAR1CNR2LTB4RLTB4R2
SCHEMBL25383248 0.72 MAOA (0.48) LTB4RLTB4R2MAOACYP4F2CYP4A11
SCHEMBL610896 0.72 CNR2 (0.38) CNR2LTB4RLTB4R2MAOACYP4F2
SCHEMBL13859025 0.72 TSHR (0.39) CNR2LTB4RLTB4R2CYP4F2CYP4A11
SCHEMBL7489493 0.72 ALDH1A1 (0.39) CNR2LTB4RLTB4R2CYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1034169-B1 TRISARYL-1,3,5-TRIAZINE ULTRAVIOLET LIGHT ABSORBERS CIBA SC HOLDING AG (CH) 2004-02-11 EP disclosed
US-6365652-B2 AMIDO OR CARBAMATE SUBSTITUTED TRISARYL-1,3,5-TRIAZINES USED AS ACTINIC RADIATION STABILIZER BY INCORPORATING THE ABOVE COMPOUND INTO THE ORGANIC POLYMER BY CHEMICAL BONDING CIBA SPECIALTY CHEMICALS CORPORATION 2002-04-02 US disclosed
US-20010037022-A1 Trisaryl-1,3,5-triazine ultraviolet light absorbers GUPTA RAM BABOO (US) 2001-11-01 US disclosed
US-6265576-B1 STABILIZERS CIBA SPECIALTY CHEMICALS CORPORATION 2001-07-24 US disclosed
EP-1034169-A1 TRISARYL-1,3,5-TRIAZINE ULTRAVIOLET LIGHT ABSORBERS Ciba SC Holding AG (CH) 2000-09-13 EP disclosed
WO-1999026935-A1 TRISARYL-1,3,5-TRIAZINE ULTRAVIOLET LIGHT ABSORBERS CYTEC TECHNOLOGY CORP. (US) 1999-06-03 WO 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-20010037022-A1 Trisaryl-1,3,5-triazine ultraviolet light absorbers CRYZ, ERCC5, TELO2 PNMT 2691/4885AKR1C3 1263/4885TAAR1 1139/4885

“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.