SCHEMBL10014218

SCHEMBL10014218

c1ccc(-c2c(-c3ccc4ccccc4c3)oc3c(-c4ccc5ccccc5c4)c4c(-c5ccccc5)c(-c5ccc6ccccc6c5)oc4c(-c4ccc(-c5cccc6ccccc56)cc4)c23)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
PIM1 P11309 1/20 0.39
ENPP3 O14638 1/20 0.39
ENPP1 P22413 1/20 0.39
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
CYP1A1 P04798 1/20 0.38
CYP1B1 Q16678 1/20 0.38
PPARG P37231 5/20 0.36
PPARA Q07869 5/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
GPR84 Q9NQS5 1/20 0.36
PPARD Q03181 1/20 0.36
MCL1 Q07820 1/20 0.36
ACMSD Q8TDX5 1/20 0.36
CYP1A2 P05177 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
SCHEMBL10014213 0.97 ALDH1A1 (0.40) ALDH1A1MAPTPIM1ENPP3ENPP1
SCHEMBL10014216 0.94 CA12 (0.42) ALDH1A1MAPTPIM1ENPP3ENPP1
SCHEMBL10014215 0.93 ALDH1A1 (0.40) ALDH1A1MAPTPIM1CYP1A1CYP1B1
SCHEMBL10014194 0.90 ENPP3 (0.43) ALDH1A1MAPTENPP3ENPP1CA12
SCHEMBL10014207 0.88 GPR84 (0.38) ALDH1A1MAPTPIM1ENPP3ENPP1
SCHEMBL10014217 0.87 ENPP3 (0.42) ALDH1A1MAPTENPP3ENPP1CA12
SCHEMBL12787508 0.85 ENPP3 (0.43) ALDH1A1MAPTENPP3ENPP1CA12
SCHEMBL10260212 0.85 PIM1 (0.40) ALDH1A1MAPTPIM1ENPP3ENPP1
SCHEMBL10259449 0.85 ABCG2 (0.43) ALDH1A1MAPTPIM1ENPP3ENPP1
SCHEMBL15334682 0.84 PIM1 (0.39) ALDH1A1MAPTPIM1ENPP3ENPP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9871211-B2 Electroactive materials EI DU PONT DE NEMOURS AND COMPANY (US) 2018-01-16 US disclosed
US-9871211-B2 Electroactive materials EI DU PONT DE NEMOURS AND COMPANY (US) 2018-01-16 US disclosed
US-20170338423-A9 ELECTROACTIVE MATERIALS E I DU PONT DE NEMOURS AND COMPANY (US) 2017-11-23 US disclosed
US-20170338423-A9 ELECTROACTIVE MATERIALS E I DU PONT DE NEMOURS AND COMPANY (US) 2017-11-23 US disclosed
US-20130248839-A1 ELECTROACTIVE MATERIALS E I DU PONT DE NEMOURS AND COMPANY (US) 2013-09-26 US disclosed
US-20130248839-A1 ELECTROACTIVE MATERIALS E I DU PONT DE NEMOURS AND COMPANY (US) 2013-09-26 US disclosed
US-8470960-B2 Electroactive materials E I DU PONT DE NEMOURS AND COMPANY (US) 2013-06-25 US disclosed
US-8470960-B2 Electroactive materials E I DU PONT DE NEMOURS AND COMPANY (US) 2013-06-25 US disclosed
US-20120074396-A1 ELECTROACTIVE MATERIALS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-03-29 US disclosed
US-20120074396-A1 ELECTROACTIVE MATERIALS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-03-29 US disclosed
US-8115200-B2 Electroactive materials E.I. DU PONT DE NEMOURS AND COMPANY (US) 2012-02-14 US disclosed
US-8115200-B2 Electroactive materials E.I. DU PONT DE NEMOURS AND COMPANY (US) 2012-02-14 US disclosed
US-20110049477-A1 ELECTROACTIVE MATERIALS E I. DU PONT DE NEMOURS AND COMPANY (US) 2011-03-03 US disclosed
US-20110049477-A1 ELECTROACTIVE MATERIALS E I. DU PONT DE NEMOURS AND COMPANY (US) 2011-03-03 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 (3 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-20110049477-A1 ELECTROACTIVE MATERIALS KCNN4, KCNN3, HCN3 ALDH1A1 3655/4885MAPT 4505/4885PIM1 1431/4885
US-20170338423-A9 ELECTROACTIVE MATERIALS KCNN4, RCOR3, HCN4 ALDH1A1 3134/4885MAPT 4120/4885PIM1 1841/4885
US-20120074396-A1 ELECTROACTIVE MATERIALS KCNN4, RCOR3, HCN4 ALDH1A1 3134/4885MAPT 4120/4885PIM1 1841/4885

“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.