SCHEMBL12306231

SCHEMBL12306231

Cc1ccc(N(c2ccc(C)cc2)c2ccc(C3(c4ccc(N(c5ccc(C)cc5)c5ccc(C6(c7ccc(N(c8ccc(C)cc8)c8ccc(C)cc8)cc7)CCCCC6)cc5)cc4)CCCCC3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.48
ESR2 Q92731 4/20 0.48
ALDH1A1 P00352 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HSD11B1 P28845 4/20 0.43
HSD11B2 P80365 3/20 0.43
TSHR P16473 1/20 0.41
LMNA P02545 3/20 0.40
ALOX12 P18054 3/20 0.40
ACHE P22303 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
ADORA3 P0DMS8 1/20 0.38
OPRM1 P35372 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PSMB1 P20618 1/20 0.35
PSMB5 P28074 1/20 0.35
PSMB2 P49721 1/20 0.35

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
SCHEMBL39661 1.00 ESR1 (0.48) ESR1ESR2ALDH1A1L3MBTL1HSD11B1
SCHEMBL21168792 1.00 ESR1 (0.48) ESR1ESR2ALDH1A1L3MBTL1HSD11B1
SCHEMBL13879208 1.00 ESR1 (0.48) ESR1ESR2ALDH1A1L3MBTL1HSD11B1
SCHEMBL5452904 1.00 ESR1 (0.48) ESR1ESR2ALDH1A1L3MBTL1HSD11B1
SCHEMBL75338 0.98 ESR1 (0.47) ESR1ESR2ALDH1A1L3MBTL1HSD11B1
SCHEMBL10005769 0.95 ESR1 (0.44) ESR1ESR2ALDH1A1L3MBTL1HSD11B1
SCHEMBL13879209 0.95 ESR1 (0.44) ESR1ESR2ALDH1A1L3MBTL1HSD11B1
SCHEMBL24283678 0.93 ESR1 (0.43) ESR1ESR2ALDH1A1L3MBTL1HSD11B1
SCHEMBL14981798 0.93 ESR1 (0.43) ESR1ESR2ALDH1A1L3MBTL1HSD11B1
SCHEMBL14732506 0.93 ESR1 (0.43) ESR1ESR2ALDH1A1L3MBTL1HSD11B1

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-9923148-B2 Electroluminescent device UDC IRELAND LIMITED (IE) 2018-03-20 US disclosed
US-20170194568-A9 Electroluminescent Device UDC IRELAND LIMITED (IE) 2017-07-06 US disclosed
US-20130079517-A1 Electroluminescent Device BASF SE (DE) 2013-03-28 US disclosed
US-8012602-B2 Blue emitting, durable, organoelectroluminescent layers containing pyrimidine moieties; full color displays; light emission efficiency and brightness BASF SE (DE) 2011-09-06 US disclosed
US-20100240892-A1 ELECTROLUMINESCENT DEVICE SCHAEFER THOMAS 2010-09-23 US disclosed
US-20080199726-A1 Electroluminescent Device CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2008-08-21 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 (4 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-20170194568-A9 Electroluminescent Device DPYD, PNPO, TYMP ESR1 653/4885ESR2 1121/4885ALDH1A1 403/4885
US-20080199726-A1 Electroluminescent Device TPMT, THPO, KYNU ESR1 1873/4885ESR2 1532/4885ALDH1A1 690/4885
US-20130079517-A1 Electroluminescent Device DPYD, PNPO, TYMP ESR1 653/4885ESR2 1121/4885ALDH1A1 403/4885
US-20100240892-A1 ELECTROLUMINESCENT DEVICE PNPO, ODC1, AXL ESR1 805/4885ESR2 1217/4885ALDH1A1 436/4885

“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.