SCHEMBL17853019

SCHEMBL17853019

CCc1cccc2c1oc1c(CC)cccc12

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.52
GABRB2 P47870 4/20 0.52
SLC11A2 P49281 1/20 0.47
GLA P06280 1/20 0.41
STING1 Q86WV6 1/20 0.41
ALOX5 P09917 1/20 0.41
ELANE P08246 3/20 0.39
AHR P35869 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
RECQL P46063 1/20 0.36
CTRC Q99895 1/20 0.36
HTT P42858 1/20 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
SCHEMBL16185336 0.90 MCL1 (0.46) GABRA1GABRB2SLC11A2GLASTING1
SCHEMBL26423718 0.88 GABRA1 (0.52) GABRA1GABRB2SLC11A2GLASTING1
SCHEMBL23967898 0.88 GABRA1 (0.42) GABRA1GABRB2SLC11A2GLASTING1
SCHEMBL10109859 0.86 ALOX5 (0.58) GABRA1GABRB2GLAALOX5AHR
SCHEMBL16283943 0.85 KMT2A (0.49) SLC11A2KDM4EALDH1A1CTRCHTT
SCHEMBL24819001 0.85 ELANE (0.41) GABRA1GABRB2SLC11A2GLASTING1
SCHEMBL12114639 0.85 GABRA1 (0.39) GABRA1GABRB2SLC11A2GLASTING1
SCHEMBL19779381 0.84 PDCD1 (0.46) GABRA1GABRB2SLC11A2GLASTING1
SCHEMBL21021446 0.81 ALOX5 (0.38) GABRA1GABRB2SLC11A2GLASTING1
SCHEMBL15842553 0.80 KDM4E (0.53) GABRA1GABRB2GLAKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230210004-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2023-06-29 US disclosed
US-20160181548-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2016-06-23 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-20160181548-A1 MATERIALS FOR ELECTRONIC DEVICES EPHB3, EPHA3, EPHB4 GABRA1 2970/4885GABRB2 2408/4885SLC11A2 3544/4885
US-20230210004-A1 MATERIALS FOR ELECTRONIC DEVICES EPHB3, EPHA3, EPHB4 GABRA1 2970/4885GABRB2 2408/4885SLC11A2 3544/4885

“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.