SCHEMBL120843

SCHEMBL120843

Cc1cc2cc(Br)c(C)cc2cc1Br

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.37
CES1 P23141 1/20 0.37
ALDH1A1 P00352 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
TERT O14746 1/20 0.35
STING1 Q86WV6 2/20 0.33
PTPN1 P18031 1/20 0.32
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2A6 P11509 1/20 0.32
HTR2C P28335 2/20 0.31
KDM1A O60341 2/20 0.31
MAPT P10636 1/20 0.31
KDM1B Q8NB78 1/20 0.31
NQO2 P16083 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
SCHEMBL15131714 0.97 TERT (0.39) BCHECES1ALDH1A1TDP1TERT
SCHEMBL6348053 0.87 HPGD (0.39) ALDH1A1TDP1STING1PTPN1CYP3A4
SCHEMBL8153225 0.83 TDP1 (0.50) ALDH1A1TDP1PTPN1CYP3A4TSHR
SCHEMBL10680003 0.83 CYP1A2 (0.59) ALDH1A1TDP1PTPN1CYP1A2CYP2A6
SCHEMBL120851 0.82 ALDH1A1 (0.42) BCHECES1ALDH1A1TDP1POLB
SCHEMBL17807469 0.81 AXL (0.46) ALDH1A1POLBL3MBTL1TSHRHTR2C
SCHEMBL482796 0.79 TSHR (0.42) BCHECES1ALDH1A1TDP1POLB
SCHEMBL754915 0.77 CYP3A4 (0.32) ALDH1A1TDP1TERTCYP3A4TSHR
SCHEMBL19532038 0.76 NOS3 (0.47) TERT
SCHEMBL133345 0.76 TSHR (0.47) BCHECES1ALDH1A1POLBL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024133779-A1 SUBSTITUTED TRIANGLAMINE AND USES THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2024-06-27 WO disclosed
EP-4389263-A1 SUBSTITUTED TRIANGLAMINE AND USES THEREOF Centre national de la recherche scientifique (FR) 2024-06-26 EP disclosed
US-11744150-B2 Synthesis of aza-acenes as novel n-type materials for organic electronics UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2023-08-29 US disclosed
US-11744150-B2 Synthesis of aza-acenes as novel n-type materials for organic electronics UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2023-08-29 US disclosed
US-8895963-B2 Organic semiconductor material, organic semiconductor thin film, and organic thin-film transistor DAINICHISEIKA COLOR & CHEMICALS MFG. CO., LTD. (JP) 2014-11-25 US disclosed
US-8895963-B2 Organic semiconductor material, organic semiconductor thin film, and organic thin-film transistor DAINICHISEIKA COLOR & CHEMICALS MFG. CO., LTD. (JP) 2014-11-25 US disclosed
EP-2430678-B1 ORGANIC SEMICONDUCTOR MATERIAL, ORGANIC SEMICONDUCTOR THIN FILM, AND ORGANIC THIN-FILM TRANSISTOR DAINICHISEIKA COLOR CHEM (JP) 2014-01-01 EP disclosed
US-20130187136-A1 SYNTHESIS OF AZA-ACENES AS NOVEL N-TYPE MATERIALS FOR ORGANIC ELECTRONICS UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2013-07-25 US disclosed
US-20130187136-A1 SYNTHESIS OF AZA-ACENES AS NOVEL N-TYPE MATERIALS FOR ORGANIC ELECTRONICS UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2013-07-25 US disclosed
US-20120056166-A1 Organic semiconductor material, organic semiconductor thin film, and organic thin-film transistor DAINICHISEIKA COLOR & CHEMICALS MFG. CO., LTD. (JP) 2012-03-08 US disclosed
US-20120056166-A1 Organic semiconductor material, organic semiconductor thin film, and organic thin-film transistor DAINICHISEIKA COLOR & CHEMICALS MFG. CO., LTD. (JP) 2012-03-08 US disclosed
WO-2010131764-A1 ORGANIC SEMICONDUCTOR MATERIAL, ORGANIC SEMICONDUCTOR THIN FILM, AND ORGANIC THIN-FILM TRANSISTOR DAINICHISEIKA COLOR & CHEMICALS MFG. CO., LTD. (JP) 2010-11-18 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 (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-20130187136-A1 SYNTHESIS OF AZA-ACENES AS NOVEL N-TYPE MATERIALS FOR ORGANIC ELECTRONICS ACE2, ACE, AZI2 BCHE 784/4885CES1 2602/4885ALDH1A1 339/4885
US-11744150-B2 Synthesis of aza-acenes as novel n-type materials for organic electronics ACE2, ACE, AZI2 BCHE 784/4885CES1 2602/4885ALDH1A1 339/4885
US-20120056166-A1 Organic semiconductor material, organic semiconductor thin film, and organic thin-film transistor SLCO2A1, SOST, SLCO1A2 BCHE 4017/4885CES1 4018/4885ALDH1A1 4049/4885

“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.