SCHEMBL2403161

SCHEMBL2403161

CCCCCCCCc1ccc2cc(Br)ccc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.47
ADRA2A P08913 2/20 0.47
ADORA3 P0DMS8 2/20 0.47
TACR2 P21452 2/20 0.47
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
SLC6A3 Q01959 2/20 0.47
LMNA P02545 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
SHBG P04278 1/20 0.47
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
HSPD1 P10809 1/20 0.47
ADRB3 P13945 1/20 0.47
HTR2C P28335 1/20 0.47
HSPE1 P61604 1/20 0.47
HIF1A Q16665 1/20 0.47
TST Q16762 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL2400221 1.00 ESR1 (0.47) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL9128028 1.00 ESR1 (0.47) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL31498466 0.98 BDKRB2 (0.46) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL4586831 0.97 ESR1 (0.44) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL27559379 0.92 ESR1 (0.43) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL5011027 0.91 ESR1 (0.40) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL27537690 0.90 SKP2 (0.41) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL11222681 0.89 PTGS2 (0.57) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL27844768 0.89 PTGS2 (0.57) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL11690859 0.89 PTGS2 (0.57) ESR1ADRA2AADORA3TACR2SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119842071-A Conductive polymer material, preparation method and application 北京大学深圳研究生院 2025-04-18 CN disclosed
US-8901540-B2 Fused ring compounds useful in organic thin-film transistors IDEMITSU KOSAN CO., LTD. (JP) 2014-12-02 US disclosed
US-8901540-B2 Fused ring compounds useful in organic thin-film transistors IDEMITSU KOSAN CO., LTD. (JP) 2014-12-02 US disclosed
US-8872163-B2 2014-10-28 US disclosed
US-8872163-B2 2014-10-28 US disclosed
US-8785915-B2 Compound for organic thin film transistor and organic thin film transistor using the same IDEMITSU KOSAN CO., LTD. (JP) 2014-07-22 US disclosed
US-8766243-B2 Heterocycle-containing asymmetric aromatic compound, compound for organic thin film transistor, and organic thin film transistor using the same IDEMITSU KOSAN CO., LTD. (JP) 2014-07-01 US disclosed
US-8766243-B2 Heterocycle-containing asymmetric aromatic compound, compound for organic thin film transistor, and organic thin film transistor using the same IDEMITSU KOSAN CO., LTD. (JP) 2014-07-01 US disclosed
US-20120273768-A1 HETEROCYCLE-CONTAINING ASYMMETRIC AROMATIC COMPOUND, COMPOUND FOR ORGANIC THIN FILM TRANSISTOR, AND ORGANIC THIN FILM TRANSISTOR USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-11-01 US disclosed
US-20120273768-A1 HETEROCYCLE-CONTAINING ASYMMETRIC AROMATIC COMPOUND, COMPOUND FOR ORGANIC THIN FILM TRANSISTOR, AND ORGANIC THIN FILM TRANSISTOR USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-11-01 US disclosed
US-20110220884-A1 COMPOUND FOR ORGANIC THIN-FILM TRANSISTOR AND ORGANIC THIN-FILM TRANSISTOR USING SAME USHIO CHEMIX CORPORATION (JP) 2011-09-15 US disclosed
US-20110220884-A1 COMPOUND FOR ORGANIC THIN-FILM TRANSISTOR AND ORGANIC THIN-FILM TRANSISTOR USING SAME USHIO CHEMIX CORPORATION (JP) 2011-09-15 US disclosed
US-20110210319-A1 COMPOUND FOR ORGANIC THIN FILM TRANSISTOR AND ORGANIC THIN FILM TRANSISTOR USING THE SAME COMPOUND FOR ORGANIC THIN FLIM TRANSISTOR AND ORGANIC THAN FLIM TRANSITOR USING THE SAME (JP) 2011-09-01 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-20120273768-A1 HETEROCYCLE-CONTAINING ASYMMETRIC AROMATIC COMPOUND, COMPOUND FOR ORGANIC THIN FILM TRANSISTOR, AND ORGANIC THIN FILM TRANSISTOR USING THE SAME TCF4, TPR, H1-4 ESR1 745/4885ADRA2A 1579/4885ADORA3 2796/4885
US-20110220884-A1 COMPOUND FOR ORGANIC THIN-FILM TRANSISTOR AND ORGANIC THIN-FILM TRANSISTOR USING SAME TTI1, TCF4, RCOR1 ESR1 277/4885ADRA2A 1382/4885ADORA3 3482/4885
US-20110210319-A1 COMPOUND FOR ORGANIC THIN FILM TRANSISTOR AND ORGANIC THIN FILM TRANSISTOR USING THE SAME OR10J3, TCF4, CTCF ESR1 375/4885ADRA2A 1627/4885ADORA3 2492/4885

“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.