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SCHEMBL498136

SCHEMBL498136

COC(=O)c1ccc(CN(C)c2ccc(O[Si](C)(C)C(C)(C)C)cc2C)cc1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ CRHBP P24387 1/20 0.35
▸ CRHR2 Q13324 1/20 0.35
▸ MCHR1 Q99705 4/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ CA12 O43570 2/20 0.33
▸ CA1 P00915 2/20 0.33
▸ CA9 Q16790 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ TUBB4A P04350 1/20 0.33

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
SCHEMBL498164 0.88 THRA (0.36) NPC1RAB9AKDM4EHPGDALDH1A1
SCHEMBL20046200 0.84 CA1 (0.43) NPC1RAB9AKDM4EHPGDALDH1A1
SCHEMBL498135 0.79 KMT2A (0.36) NPC1RAB9AKDM4EHPGDMCHR1
SCHEMBL498276 0.79 CA1 (0.47) NPC1KDM4EHPGDALDH1A1CRHBP
SCHEMBL1656366 0.75 CA12 (0.43) KDM4EHPGDALDH1A1MEN1LMNA
SCHEMBL30007012 0.74 CA12 (0.43) NPC1RAB9AKDM4EMEN1LMNA
SCHEMBL2201771 0.74 CA12 (0.43) NPC1RAB9AKDM4EMEN1LMNA
SCHEMBL2771777 0.73 MEN1 (0.43) NPC1RAB9AKDM4EHPGDALDH1A1
SCHEMBL498158 0.73 CA12 (0.43) NPC1KDM4EHPGDALDH1A1CRHBP
SCHEMBL6519326 0.71 CA12 (0.46) RAB9AKDM4EHPGDALDH1A1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106077-B2 Compounds and methods for modulating FXR ELI LILLY AND COMPANY (US) 2012-01-31 — — US disclosed
US-7846960-B2 FXR agonists ELI LILLY AND COMPANY (US) 2010-12-07 — — US disclosed
EP-2029547-B1 FXR AGONISTS LILLY CO ELI (US) 2010-04-28 — — EP disclosed
EP-2029558-B1 COMPOUNDS AND METHODS FOR MODULATING FXR LILLY CO ELI (US) 2010-03-10 — — EP disclosed
US-20090270460-A1 FXR AGONISTS JPMORGAN CHASE BANK, N.A., AS SUCCESSOR COLLATERAL AGENT 2009-10-29 — — US disclosed
US-20090093524-A1 COMPOUNDS AND METHODS FOR MODULATING FXR JPMORGAN CHASE BANK, N.A., AS SUCCESSOR COLLATERAL AGENT 2009-04-09 — — US disclosed
EP-2029547-A1 FXR AGONISTS ELI LILLY AND COMPANY (US) 2009-03-04 — — EP disclosed
EP-2029558-A2 COMPOUNDS AND METHODS FOR MODULATING FXR ELI LILLY AND COMPANY (US) 2009-03-04 — — EP disclosed
WO-2007140183-A1 FXR AGONISTS ELI LILLY AND COMPANY (US) 2007-12-06 — — WO disclosed
WO-2007140174-A2 COMPOUNDS AND METHODS FOR MODULATING FXR ELI LILLY AND COMPANY (US) 2007-12-06 — — 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 (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-20090270460-A1 FXR AGONISTS NR1H4, SLC10A1, GPBAR1 NPC1 37/4885RAB9A 1716/4885KDM4E 4469/4885
US-20090093524-A1 COMPOUNDS AND METHODS FOR MODULATING FXR NR1H4, SLC10A1, FXR1 NPC1 15/4885RAB9A 1385/4885KDM4E 4134/4885

“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.