SCHEMBL7558408

SCHEMBL7558408

C=C(CC)c1ccncc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C19 P33261 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MPO P05164 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
CYP2A6 P11509 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
NAAA Q02083 1/20 0.38
HPGD P15428 2/20 0.38
PLOD2 O00469 1/20 0.38
PLOD3 O60568 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
Bromide SCHEMBL5436825 0.98 NAPRT (0.39) NAPRTCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL2263489 0.82 NR1I2 (0.42) CYP1A2CYP3A4CYP2D6CYP2C19KMT2A
SCHEMBL11758909 0.81 KMT2A (0.40) NAPRTCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL7560833 0.79 HDAC3 (0.45) NAPRTCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL6522858 0.78 NAPRT (0.42) NAPRTCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL9365632 0.77 NAPRT (0.38) NAPRTCYP1A2CYP3A4CYP2D6CYP2C19
Bromide SCHEMBL11344288 0.77 HDAC3 (0.44) CYP1A2CYP3A4CYP2D6CYP2C19KMT2A
SCHEMBL2172789 0.76 NAPRT (0.41) NAPRTCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL23176316 0.76 MAOA (0.40) NAPRTCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL4629983 0.76 NAAA (0.50) CYP1A2CYP3A4CYP2D6CYP2C19KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107847498-A tetra-substituted olefin compound and use thereof 卫材R&D管理有限公司 2018-03-27 CN claimed
CN-109534317-B Preparation method of carbon nanotube film 中国科学院物理研究所 2021-11-23 CN disclosed
EP-2927253-B1 ORGANOPOLYSILOXANE GRAFT POLYMER KAO CORP (JP) 2018-09-12 EP disclosed
US-9351920-B2 Organopolysiloxane graft polymer KAO CORPORATION (JP) 2016-05-31 US disclosed
US-20150297498-A1 ORGANOPOLYSILOXANE GRAFT POLYMER KAO CORPORATION (JP) 2015-10-22 US disclosed
EP-2927253-A1 ORGANOPOLYSILOXANE GRAFT POLYMER Kao Corporation (JP) 2015-10-07 EP disclosed
CN-1379777-A Amino-triazolopyridine derivatives HOFFMANN LA ROCHE (CH) 2002-11-13 CN disclosed
EP-1227111-A1 TRIPHENYLBORON-CONTAINING POLYMERS AND USE THEREOF Yoshitomi Fine Chemicals, Ltd. (JP) 2002-07-31 EP disclosed
WO-1996036683-A1 MIXED PHOSPHOROUS- AND SULFUR-CONTAINING REACTION PRODUCTS USEFUL IN POWER TRANSMITTING COMPOSITIONS EXXON CHEMICAL PATENTS INC. (US) 1996-11-21 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-20150297498-A1 ORGANOPOLYSILOXANE GRAFT POLYMER IDUA, PIGS, GMNN NAPRT 3499/4885CYP1A2 3979/4885CYP3A4 4094/4885

“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.