Sugi Predict

Sugi Predict / Compounds / SCHEMBL6717312

SCHEMBL6717312

SCHEMBL6717312

CCCCCCOc1c[c][c]cc1OCCCCCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR5A1 Q13285 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ NR1I2 O75469 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ CHRM2 P08172 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ ADRA2A P08913 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ OPRK1 P41145 1/20 0.43
▸ HTR2B P41595 1/20 0.43
▸ SLC6A3 Q01959 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ ESR1 P03372 2/20 0.41
▸ MCHR1 Q99705 1/20 0.40
▸ TLR8 Q9NR97 1/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ CHUK O15111 1/20 0.39

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
SCHEMBL6719887 0.98 CYP1A2 (0.41) NR5A1MEN1NR1I2LMNACHRM2
SCHEMBL6723426 0.91 CYP1A2 (0.47) NR5A1MEN1NR1I2LMNACHRM2
SCHEMBL6714209 0.83 MAPT (0.41) MEN1MAPTHTR2BKMT2AMCHR1
SCHEMBL1664104 0.78 NR5A1 (0.42) NR5A1MEN1NR1I2LMNACHRM2
SCHEMBL1451260 0.78 NR5A1 (0.42) NR5A1MEN1NR1I2LMNACHRM2
SCHEMBL27269202 0.78 NR5A1 (0.42) NR5A1MEN1NR1I2LMNACHRM2
SCHEMBL6200775 0.78 NR5A1 (0.42) NR5A1MEN1NR1I2LMNACHRM2
SCHEMBL7111290 0.78 NR5A1 (0.42) NR5A1MEN1NR1I2LMNACHRM2
SCHEMBL3458097 0.78 NR5A1 (0.42) NR5A1MEN1NR1I2LMNACHRM2
SCHEMBL17416897 0.78 NR5A1 (0.42) NR5A1MEN1NR1I2LMNACHRM2

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-20040142952-A1 Triazoloquinazoline and pyrazolotriazolopyrimidine derivatives, medicinal compositions, adenosine a3 receptor affinity agents, ocular tension lowering agents, preparations for preventing and treating glaucoma and method of lowering ocular tension OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2004-07-22 — — US disclosed
EP-1364953-A1 TRIAZOLOQUINAZOLINE AND PYRAZOLOTRIAZOLOPYRIMIDINE DERIVATIVES, MEDICINAL COMPOSITIONS, ADENOSINE A3 RECEPTOR AFFINITY AGENTS, OCULAR TENSION LOWERING AGENTS, PREPARATIONS FOR PREVENTING AND TREATING GLAUCOMA AND METHOD OF LOWERING OCULAR TENSION OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2003-11-26 — — 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 (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-20040142952-A1 Triazoloquinazoline and pyrazolotriazolopyrimidine derivatives, medicinal compositions, adenosine a3 receptor affinity agents, ocular tension lowering agents, preparations for preventing and treating glaucoma and method of lowering ocular tension ADORA3, ADORA1, ADORA2A NR5A1 1603/4885MEN1 4026/4885NR1I2 502/4885

“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.