SCHEMBL19897916

SCHEMBL19897916

Cc1c(OCCCCl)cccc1-c1cccc(OCCCCl)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 2/20 0.39
▸ HTR1B P28222 1/20 0.39
▸ PDE5A O76074 1/20 0.39
▸ PDE4A P27815 1/20 0.39
▸ PDE4B Q07343 1/20 0.39
▸ PDE4C Q08493 1/20 0.39
▸ PDE4D Q08499 1/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ TDP1 Q9NUW8 3/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 7/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ L3MBTL1 Q9Y468 6/20 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
SCHEMBL30394059 1.00 CD274 (0.39) CD274HTR1BPDE5APDE4APDE4B
SCHEMBL28893425 0.85 L3MBTL1 (0.41) HTR1BPDE5APDE4APDE4BPDE4C
SCHEMBL18727936 0.85 CD274 (0.46) CD274PDE5APDE4APDE4BPDE4C
SCHEMBL28960000 0.83 HTR1B (0.46) CD274HTR1BSMN1; SMN2TDP1CYP2C19
SCHEMBL30668196 0.83 HTR1B (0.46) CD274HTR1BSMN1; SMN2TDP1CYP2C19
SCHEMBL28959992 0.80 HTR7 (0.49) CD274SMN1; SMN2TDP1TP53ALDH1A1
SCHEMBL11097966 0.80 CYP1A2 (0.47) HTR1BPDE5APDE4APDE4BPDE4C
SCHEMBL10681054 0.79 HTR1B (0.45) CD274HTR1BSMN1; SMN2TDP1CYP2C19
SCHEMBL20729422 0.78 CD274 (0.37) CD274HTR1BPDE5APDE4APDE4B
SCHEMBL10677209 0.78 TP53 (0.49) PDE5APDE4APDE4BPDE4CPDE4D

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
EP-3507284-B1 BIARYL COMPOUNDS USEFUL AS IMMUNOMODULATORS BRISTOL MYERS SQUIBB CO (US) 2022-05-25 — — EP disclosed
EP-3507284-B1 BIARYL COMPOUNDS USEFUL AS IMMUNOMODULATORS BRISTOL MYERS SQUIBB CO (US) 2022-05-25 — — EP disclosed
EP-3507284-A1 BIARYL COMPOUNDS USEFUL AS IMMUNOMODULATORS Bristol-Myers Squibb Company (US) 2019-07-10 — — EP disclosed
US-10144706-B2 Compounds useful as immunomodulators BRISTOL-MYERS SQUIBB COMPANY (US) 2018-12-04 — — US disclosed
WO-2018044963-A1 BIARYL COMPOUNDS USEFUL AS IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-03-08 — — WO disclosed
WO-2018044963-A1 BIARYL COMPOUNDS USEFUL AS IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-03-08 — — WO disclosed
US-20180057455-A1 COMPOUNDS USEFUL AS IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY 2018-03-01 — — US disclosed
US-20180057455-A1 COMPOUNDS USEFUL AS IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY 2018-03-01 — — US disclosed
US-20180057455-A1 COMPOUNDS USEFUL AS IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY 2018-03-01 — — 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 (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-10144706-B2 Compounds useful as immunomodulators CD74, HLA-DRB1, CD47 CD274 52/4885HTR1B 4346/4885PDE5A 2903/4885
US-20180057455-A1 COMPOUNDS USEFUL AS IMMUNOMODULATORS CD74, HLA-DRB1, CD47 CD274 52/4885HTR1B 4346/4885PDE5A 2903/4885

“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.

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