SCHEMBL4963145

SCHEMBL4963145

CC1(c2ccccc2COCc2ccccc2)OCCO1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
ALDH1A1 P00352 5/20 0.34
KDM4E B2RXH2 3/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
TACR1 P25103 1/20 0.33
LMNA P02545 3/20 0.33
TP53 P04637 2/20 0.33
MAPT P10636 2/20 0.33
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
MPI P34949 1/20 0.32
SNCA P37840 1/20 0.32
TRPV6 Q9H1D0 1/20 0.32
DAO P14920 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32

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
SCHEMBL4961724 0.81 PDK2 (0.39) TSHRALDH1A1HTT
SCHEMBL4964190 0.74 OPRM1 (0.38) TSHRALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL2474639 0.74 ALDH1A1 (0.33) TSHRALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL711818 0.72 TSHR (0.48) TSHRALDH1A1KDM4ETACR1LMNA
SCHEMBL9231381 0.71 TSHR (0.62) TSHRALDH1A1KDM4EL3MBTL1LMNA
Oxirane SCHEMBL3317346 0.70 TSHR (0.75) TSHRKDM4ETACR1LMNAPOLB
SCHEMBL712647 0.70 ALDH1A1 (0.49) TSHRALDH1A1L3MBTL1TACR1TDP1
Fluoride SCHEMBL27427280 0.70 TSHR (0.94) TSHRALDH1A1KDM4ETACR1LMNA
SCHEMBL31561750 0.69 LMNA (0.31) KDM4ELMNASMN1; SMN2POLB
Dioxane SCHEMBL8701185 0.68 TSHR (0.71) TSHRALDH1A1KDM4ETACR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080280855-A1 Process For the Production of Intermediates For the Preparation of Tricyclic Benzimidazoles NYCOMED GMBH (DE) 2008-11-13 US disclosed
CN-101198594-A Process for the production of intermadiates for the preparation of tricyclic benzimidazoles NYCOMED GMBH (DE) 2008-06-11 CN disclosed
EP-1904454-A2 PROCESS FOR THE PRODUCTION OF INTERMADIATES FOR THE PREPARATION OF TRICYCLIC BENZIMIDAZOLES Nycomed GmbH (DE) 2008-04-02 EP disclosed
WO-2006136552-A2 PROCESS FOR THE PRODUCTION OF INTERMADIATES FOR THE PREPARATION OF TRICYCLIC BENZIMIDAZOLES NYCOMED GMBH (DE) 2006-12-28 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-20080280855-A1 Process For the Production of Intermediates For the Preparation of Tricyclic Benzimidazoles CYP1B1, CYP1A1, CYP3A4 TSHR 1192/4885ALDH1A1 76/4885KDM4E 2195/4885

“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.