SCHEMBL470759

SCHEMBL470759

N#C/C(=C1/c2ccccc2-c2c1c1c(c3c2/C(=C(\C#N)c2ccc(C(F)(F)F)cc2)c2ccccc2-3)/C(=C(\C#N)c2ccc(C(F)(F)F)cc2)c2ccccc2-1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
TSHR P16473 1/20 0.38
MAPT P10636 3/20 0.38
KDM4E B2RXH2 2/20 0.38
APAF1 O14727 1/20 0.38
TDP2 O95551 1/20 0.38
NSD2 O96028 1/20 0.38
CASP3 P42574 1/20 0.38
GALK1 P51570 1/20 0.38
BLM P54132 1/20 0.38
KMT2A Q03164 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
GSK3B P49841 1/20 0.36
CYP1A2 P05177 1/20 0.35
POLB P06746 1/20 0.35
CYP2C19 P33261 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
SCHEMBL470765 0.86 ALDH1A1 (0.34) ALDH1A1TSHRMAPTKDM4EAPAF1
SCHEMBL470757 0.82 CHRNB2 (0.38) ALDH1A1MAPTKMT2ACYP1A2POLB
SCHEMBL19114771 0.82 CES2 (0.48) ALDH1A1TSHRKMT2ACES2CES1
SCHEMBL470756 0.80 MEN1 (0.35) ALDH1A1MAPTKDM4EAPAF1NSD2
SCHEMBL25899702 0.74 CYP1A1 (0.45) ALDH1A1MAPTKMT2ACES2CES1
SCHEMBL470762 0.70 CES2 (0.37) ALDH1A1MAPTKDM4EKMT2ACES2
SCHEMBL15470877 0.69 CHRNB2 (0.41) ALDH1A1TSHRMAPTTDP2NSD2
Trifluoromethylbenzene SCHEMBL27715679 0.68 ALDH1A1 (0.74) ALDH1A1TSHRMAPTKMT2ACES2
SCHEMBL19114755 0.68 CES2 (0.41) ALDH1A1TSHRKMT2ACES2CES1
SCHEMBL19114484 0.68 CES2 (0.35) CES2CES1GSK3BKIF11CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10941144-B2 Organic electroluminescence device and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2021-03-09 US disclosed
US-10840456-B2 Compound, material for organic electroluminescence devices, organic electroluminescence device, and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2020-11-17 US disclosed
US-10424740-B2 Compound, material for organic electroluminescence devices, organic electroluminescence device, and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2019-09-24 US disclosed
US-20190088879-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICES, ORGANIC ELECTROLUMINESCENCE DEVICE, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2019-03-21 US disclosed
US-20180179206-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD., (JP) 2018-06-28 US disclosed
US-20140144509-A1 Compounds for Organic Photovoltaic Devices NOVALED AG (DE) 2014-05-29 US disclosed
WO-2012031735-A1 COMPOUNDS FOR ORGANIC PHOTOVOLTAIC DEVICES NOVALED AG (DE) 2012-03-15 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 (5 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-20180179206-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC DEVICE L1CAM, ESR1, CHRM1 ALDH1A1 83/4885TSHR 1674/4885MAPT 1871/4885
US-20190088879-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICES, ORGANIC ELECTROLUMINESCENCE DEVICE, AND ELECTRONIC DEVICE PIEZO1, LEF1, L1CAM ALDH1A1 404/4885TSHR 2150/4885MAPT 2451/4885
US-10424740-B2 Compound, material for organic electroluminescence devices, organic electroluminescence device, and electronic device PIEZO1, LEF1, L1CAM ALDH1A1 404/4885TSHR 2150/4885MAPT 2451/4885
US-10941144-B2 Organic electroluminescence device and electronic device L1CAM, ESR1, CHRM1 ALDH1A1 83/4885TSHR 1674/4885MAPT 1871/4885
US-10840456-B2 Compound, material for organic electroluminescence devices, organic electroluminescence device, and electronic device L1CAM, PIEZO1, LEF1 ALDH1A1 21/4885TSHR 4644/4885MAPT 932/4885

“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.