SCHEMBL8552100

SCHEMBL8552100

CCCOc1cccc(I)c1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.59
TSHR P16473 2/20 0.47
NR1H4 Q96RI1 1/20 0.46
GPBAR1 Q8TDU6 1/20 0.45
CYSLTR1 Q9Y271 1/20 0.45
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
SMPD1 P17405 3/20 0.43
MEN1 O00255 1/20 0.43
KAT6A Q92794 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL4187873 0.90 TSHR (0.54) KMT2ATSHRNR1H4GPBAR1CYSLTR1
SCHEMBL2352668 0.87 TSHR (0.65) KMT2ATSHRNR1H4GPBAR1SMPD1
SCHEMBL26635331 0.87 TSHR (0.65) KMT2ATSHRNR1H4GPBAR1SMPD1
SCHEMBL25169961 0.87 TSHR (0.65) KMT2ATSHRNR1H4GPBAR1SMPD1
SCHEMBL25167623 0.87 TSHR (0.65) KMT2ATSHRNR1H4GPBAR1SMPD1
1,3-Dipropoxybenzene SCHEMBL73716 0.85 KMT2A (0.63) KMT2ATSHRNR1H4GPBAR1CYSLTR1
SCHEMBL5743833 0.83 TP53 (0.59) KMT2ATSHRNR1H4KDM4ESMN1; SMN2
SCHEMBL29584039 0.82 MAPK1 (0.46) KMT2AKDM4EALDH1A1LMNAMAPK1
SCHEMBL670276 0.82 MAPK1 (0.46) KMT2AKDM4EALDH1A1LMNAMAPK1
SCHEMBL10048853 0.81 CYP1A2 (0.53) KMT2AKDM4EMEN1ALDH1A1MAPK1

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107567443-B Biaryl derivatives as GPR120 agonists 株式会社LG化学 2023-04-28 CN disclosed
CN-115925679-A Biaryl derivatives as GPR120 agonists 株式会社LG化学 2023-04-07 CN disclosed
EP-3239143-B1 BIARYL DERIVATIVE AS GPR120 AGONIST LG CHEMICAL LTD (KR) 2023-03-22 EP disclosed
US-20220135574-A1 BIARYL DERIVATIVE AS GPR120 AGONIST LG CHEM, LTD. (KR) 2022-05-05 US disclosed
US-11261186-B2 Biaryl derivative as GPR120 agonist LG CHEM. LTD. (KR) 2022-03-01 US disclosed
EP-3626732-A1 MACROCYCLIC INHIBITORS OF THE PD-1/PD-L1 AND CD80(B7-1)/PD-L1 PROTEIN/PROTEIN INTERACTIONS Bristol-Myers Squibb Company (US) 2020-03-25 EP disclosed
EP-2970390-B1 MACROCYCLIC INHIBITORS OF THE PD-1/PD-L1 AND CD80(B7-1)/PD-L1 PROTEIN/PROTEIN INTERACTIONS BRISTOL MYERS SQUIBB CO (US) 2019-11-06 EP disclosed
EP-2970390-B1 MACROCYCLIC INHIBITORS OF THE PD-1/PD-L1 AND CD80(B7-1)/PD-L1 PROTEIN/PROTEIN INTERACTIONS BRISTOL MYERS SQUIBB CO (US) 2019-11-06 EP disclosed
US-9879046-B2 Macrocyclic inhibitors of the PD-1/PD-L1 and CD80(B7-1)/PD-L1 protein/protein interactions BRISTOL-MYERS SQUIBB COMPANY (US) 2018-01-30 US disclosed
US-9879046-B2 Macrocyclic inhibitors of the PD-1/PD-L1 and CD80(B7-1)/PD-L1 protein/protein interactions BRISTOL-MYERS SQUIBB COMPANY (US) 2018-01-30 US disclosed
US-20160158349-A1 MACROCYCLIC INHIBITORS OF THE PD-1/PD-L1 AND CD80(B7-1)/PD-L1 PROTEIN/PROTEIN INTERACTIONS BRISTOL MYERS SQUIBB CO (US) 2016-06-09 US disclosed
US-20160158349-A1 MACROCYCLIC INHIBITORS OF THE PD-1/PD-L1 AND CD80(B7-1)/PD-L1 PROTEIN/PROTEIN INTERACTIONS BRISTOL MYERS SQUIBB CO (US) 2016-06-09 US disclosed
US-20160158349-A1 MACROCYCLIC INHIBITORS OF THE PD-1/PD-L1 AND CD80(B7-1)/PD-L1 PROTEIN/PROTEIN INTERACTIONS BRISTOL MYERS SQUIBB CO (US) 2016-06-09 US disclosed
US-9308236-B2 Macrocyclic inhibitors of the PD-1/PD-L1 and CD80(B7-1)/PD-L1 protein/protein interactions BRISTOL-MYERS SQUIBB COMPANY (US) 2016-04-12 US disclosed
EP-2970390-A1 MACROCYCLIC INHIBITORS OF THE PD-1/PD-L1 AND CD80(B7-1)/PD-L1 PROTEIN/PROTEIN INTERACTIONS Bristol-Myers Squibb Company (US) 2016-01-20 EP disclosed
CN-105209479-A Macrocyclic inhibitors of PD-1/PD-L1 and CD80(B7-1)/PD-L1 protein/protein interactions BRISTOL MYERS SQUIBB CO 2015-12-30 CN disclosed
US-20140294898-A1 MACROCYCLIC INHIBITORS OF THE PD-1/PD-L1 AND CD80(B7-1)/PD-L1 PROTEIN/PROTEIN INTERACTIONS BRISTOL-MYERS SQUIBB COMPANY 2014-10-02 US disclosed
WO-2014151634-A1 MACROCYCLIC INHIBITORS OF THE PD-1/PD-L1 AND CD80(B7-1)/PD-L1 PROTEIN/PROTEIN INTERACTIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-25 WO disclosed
WO-2014151634-A1 MACROCYCLIC INHIBITORS OF THE PD-1/PD-L1 AND CD80(B7-1)/PD-L1 PROTEIN/PROTEIN INTERACTIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-25 WO disclosed
EP-0840725-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1998-05-13 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 (4 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-20140294898-A1 MACROCYCLIC INHIBITORS OF THE PD-1/PD-L1 AND CD80(B7-1)/PD-L1 PROTEIN/PROTEIN INTERACTIONS CD274, PDCD1, PDCD1LG2 KMT2A 2643/4885TSHR 1405/4885NR1H4 3709/4885
US-20220135574-A1 BIARYL DERIVATIVE AS GPR120 AGONIST GPR119, GLP1R, GIPR KMT2A 2097/4885TSHR 487/4885NR1H4 45/4885
US-11261186-B2 Biaryl derivative as GPR120 agonist GPR119, GPR88, FFAR1 KMT2A 2856/4885TSHR 485/4885NR1H4 31/4885
US-20160158349-A1 MACROCYCLIC INHIBITORS OF THE PD-1/PD-L1 AND CD80(B7-1)/PD-L1 PROTEIN/PROTEIN INTERACTIONS CD274, PDCD1, PDCD1LG2 KMT2A 2643/4885TSHR 1405/4885NR1H4 3709/4885

“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.