SCHEMBL1697007

SCHEMBL1697007

Brc1ccc2c(c1)c1cc(Br)ccc1c1occc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.40
ESR1 P03372 1/20 0.37
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
PIK3R1 P27986 1/20 0.33
PIK3CA P42336 1/20 0.33
AHR P35869 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
PTPN1 P18031 1/20 0.33
ADORA2A P29274 1/20 0.32
PIM1 P11309 2/20 0.32
JAK2 O60674 3/20 0.31
METAP2 P50579 1/20 0.31
CHEK1 O14757 1/20 0.31
AURKA O14965 1/20 0.31

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
SCHEMBL16158369 0.78 CYP2A6 (0.47) ESR2ALDH1A1AHRMEN1KMT2A
SCHEMBL19683573 0.75 HTR2A (0.38) ESR2ESR1HTR2AHTR2CHTR2B
SCHEMBL13561961 0.71 MAOA (0.38) ESR2ALDH1A1MEN1KMT2AMAPT
SCHEMBL30577719 0.71 METAP2 (0.46) PIM1JAK2METAP2CHEK1AURKA
SCHEMBL1290051 0.71 MAOA (0.41) ESR2ALDH1A1MEN1KMT2AMAPT
SCHEMBL21764548 0.71 MEN1 (0.52) ALDH1A1AHRMEN1KMT2ARXFP1
SCHEMBL16076434 0.71 MEN1 (0.52) ALDH1A1AHRMEN1KMT2ARXFP1
SCHEMBL21636087 0.71 MEN1 (0.52) ALDH1A1AHRMEN1KMT2ARXFP1
Triphenylene SCHEMBL1923284 0.71 MEN1 (0.52) ALDH1A1AHRMEN1KMT2ARXFP1
SCHEMBL19056392 0.71 HTR2A (0.55) HTR2AHTR2CHTR2BMAPK14

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-9079872-B2 Phenanthro[9, 10-B]furans for electronic applications BASF SE (DE) 2015-07-14 US disclosed
US-9079872-B2 Phenanthro[9, 10-B]furans for electronic applications BASF SE (DE) 2015-07-14 US disclosed
EP-2625171-B1 PHENANTHRO[9,10-B]FURANS FOR ELECTRONIC APPLICATIONS BASF SE (DE) 2014-07-30 EP disclosed
US-20120095222-A1 PHENANTHRO[9, 10-B]FURANS FOR ELECTRONIC APPLICATIONS BASF SE (DE) 2012-04-19 US disclosed
US-20120095222-A1 PHENANTHRO[9, 10-B]FURANS FOR ELECTRONIC APPLICATIONS BASF SE (DE) 2012-04-19 US disclosed
WO-2012045710-A1 PHENANTHRO[9,10-B]FURANS FOR ELECTRONIC APPLICATIONS BASF SE (DE) 2012-04-12 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-20120095222-A1 PHENANTHRO[9, 10-B]FURANS FOR ELECTRONIC APPLICATIONS P2RY10, P2RY11, P2RY12 ESR2 198/4885ESR1 71/4885HTR2A 1878/4885

“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.