SCHEMBL18729182

SCHEMBL18729182

COc1cc(OCc2cccc(-c3cccc(OCCCCl)c3C)c2C)c(Cl)cc1C=O

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 15/20 0.51
▸ PDCD1 Q15116 5/20 0.51
▸ HTR1A P08908 1/20 0.39
▸ ADRA1D P25100 1/20 0.39
▸ ADRA1A P35348 1/20 0.39
▸ ADRA1B P35368 1/20 0.39
▸ MRGPRX4 Q96LA9 1/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL18728568 0.92 CD274 (0.50) CD274PDCD1HTR1AADRA1DADRA1A
SCHEMBL19897862 0.91 CD274 (0.59) CD274PDCD1MRGPRX4NPC1MAPT
SCHEMBL19911749 0.88 CD274 (0.57) CD274PDCD1MRGPRX4NPC1MAPT
SCHEMBL20721089 0.88 CD274 (0.47) CD274PDCD1MRGPRX4
SCHEMBL18757374 0.87 CD274 (0.48) CD274PDCD1CYP1A2SMN1; SMN2
SCHEMBL18729192 0.87 CD274 (0.53) CD274PDCD1
SCHEMBL30267183 0.84 CD274 (0.43) CD274PDCD1
SCHEMBL30786901 0.84 CD274 (0.43) CD274PDCD1HTR1AADRA1DADRA1A
SCHEMBL28596509 0.84 CD274 (0.43) CD274PDCD1
SCHEMBL18728634 0.82 CD274 (0.46) CD274PDCD1MRGPRX4NPC1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10745382-B2 Compounds useful as immunomodulators BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-18 — — US disclosed
US-10745382-B2 Compounds useful as immunomodulators BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-18 — — US disclosed
EP-3362443-A1 COMPOUNDS USEFUL AS IMMUNOMODULATORS Bristol-Myers Squibb Company (US) 2018-08-22 — — EP disclosed
WO-2017066227-A1 COMPOUNDS USEFUL AS IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2017-04-20 — — WO disclosed
US-20170107202-A1 COMPOUNDS USEFUL AS IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY 2017-04-20 — — US disclosed
US-20170107202-A1 COMPOUNDS USEFUL AS IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY 2017-04-20 — — US disclosed
WO-2017066227-A1 COMPOUNDS USEFUL AS IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2017-04-20 — — WO disclosed
US-20170107202-A1 COMPOUNDS USEFUL AS IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY 2017-04-20 — — 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 (2 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-10745382-B2 Compounds useful as immunomodulators CD74, HLA-DRB1, CD47 CD274 52/4885PDCD1 161/4885HTR1A 4588/4885
US-20170107202-A1 COMPOUNDS USEFUL AS IMMUNOMODULATORS CD74, HLA-DRB1, CD47 CD274 52/4885PDCD1 161/4885HTR1A 4588/4885

“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.

Send feedback