SCHEMBL5007637

SCHEMBL5007637

c1ccc2cc(OCc3nc4ccccc4[nH]3)ccc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 1.00
RAB9A P51151 9/20 1.00
SMN1; SMN2 Q16637 8/20 1.00
TP53 P04637 3/20 1.00
KMT2A Q03164 2/20 1.00
LMNA P02545 2/20 1.00
HTT P42858 2/20 1.00
MEN1 O00255 1/20 1.00
GAA P10253 1/20 1.00
MAPK1 P28482 1/20 1.00
TSHR P16473 1/20 0.72
POLB P06746 1/20 0.69
TDP1 Q9NUW8 1/20 0.69
ALDH1A1 P00352 2/20 0.68
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C19 P33261 1/20 0.59
PKM P14618 1/20 0.57

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
SCHEMBL2241896 0.84 RAB9A (1.00) NPC1RAB9ASMN1; SMN2TP53KMT2A
SCHEMBL2246129 0.82 NPC1 (1.00) NPC1RAB9ASMN1; SMN2TP53KMT2A
SCHEMBL30354865 0.82 NPC1 (0.77) NPC1RAB9ASMN1; SMN2TP53KMT2A
SCHEMBL13744788 0.82 NPC1 (0.77) NPC1RAB9ASMN1; SMN2TP53KMT2A
SCHEMBL2245506 0.82 RAB9A (1.00) NPC1RAB9ASMN1; SMN2TP53KMT2A
SCHEMBL2248644 0.82 NPC1 (1.00) NPC1RAB9ASMN1; SMN2TP53KMT2A
SCHEMBL15063375 0.81 NPC1 (1.00) NPC1RAB9ASMN1; SMN2TP53KMT2A
SCHEMBL7686538 0.81 RAB9A (0.72) NPC1RAB9ASMN1; SMN2TP53KMT2A
SCHEMBL7688380 0.81 RAB9A (0.76) NPC1RAB9ASMN1; SMN2TP53KMT2A
SCHEMBL20103550 0.79 NPC1 (0.64) NPC1RAB9ASMN1; SMN2TP53KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7470827-B2 Composition for the vapor phase dehydrohalogenation of 1,1,2-trihaloethane to 1,1-dihaloethylene and methods for preparing and using such composition PPG INDUSTRIES OHIO, INC. (US) 2008-12-30 US claimed
US-20080242902-A1 Composition For the Vapor Phase Dehydrohalogenation of 1,1,2-Trihaloethane To 1,1-Dihaloethylene and Methods For Preparing and Using Such Composition PPG INDUSTRIES OHIO, INC (US) 2008-10-02 US claimed
WO-2006132625-A1 COMPOSITION FOR THE VAPOR PHASE DEHYDROHALOGENATION OF 1,1,2-TRIHALOETHANE TO 1,1-DIHALOETHYLENE AND METHODS FOR PREPARING AND USING SUCH COMPOSITIONS PPG INDUSTRIES OHIO, INC. (US) 2006-12-14 WO claimed
US-7470827-B2 Composition for the vapor phase dehydrohalogenation of 1,1,2-trihaloethane to 1,1-dihaloethylene and methods for preparing and using such composition PPG INDUSTRIES OHIO, INC. (US) 2008-12-30 US disclosed
US-20080242902-A1 Composition For the Vapor Phase Dehydrohalogenation of 1,1,2-Trihaloethane To 1,1-Dihaloethylene and Methods For Preparing and Using Such Composition PPG INDUSTRIES OHIO, INC (US) 2008-10-02 US disclosed
WO-2006132625-A1 COMPOSITION FOR THE VAPOR PHASE DEHYDROHALOGENATION OF 1,1,2-TRIHALOETHANE TO 1,1-DIHALOETHYLENE AND METHODS FOR PREPARING AND USING SUCH COMPOSITIONS PPG INDUSTRIES OHIO, INC. (US) 2006-12-14 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-20080242902-A1 Composition For the Vapor Phase Dehydrohalogenation of 1,1,2-Trihaloethane To 1,1-Dihaloethylene and Methods For Preparing and Using Such Composition CYP2E1, CYP1A1, HDHD5 NPC1 2698/4885RAB9A 3877/4885SMN1; SMN2 4434/4885

“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.