SCHEMBL19829487

SCHEMBL19829487

CCCCCCCc1ccc([N+]#N)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 2/20 0.57
▸ ADRA2A P08913 2/20 0.57
▸ ADORA3 P0DMS8 2/20 0.57
▸ TACR2 P21452 2/20 0.57
▸ SLC6A2 P23975 2/20 0.57
▸ SLC6A4 P31645 2/20 0.57
▸ SLC6A3 Q01959 2/20 0.57
▸ HSD17B10 Q99714 2/20 0.57
▸ ALDH1A1 P00352 2/20 0.57
▸ KDM4E B2RXH2 1/20 0.57
▸ LMNA P02545 1/20 0.57
▸ SHBG P04278 1/20 0.57
▸ TP53 P04637 1/20 0.57
▸ CYP3A4 P08684 1/20 0.57
▸ HSPD1 P10809 1/20 0.57
▸ ADRB3 P13945 1/20 0.57
▸ HTR2C P28335 1/20 0.57
▸ HSPE1 P61604 1/20 0.57
▸ HIF1A Q16665 1/20 0.57
▸ TST Q16762 1/20 0.57

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
SCHEMBL21539565 1.00 ESR1 (0.57) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL6287956 1.00 ESR1 (0.57) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL114795 1.00 ESR1 (0.57) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL10820927 1.00 ESR1 (0.57) ESR1ADRA2AADORA3TACR2SLC6A2
Hydrochloric Acid SCHEMBL10821042 0.98 ESR1 (0.55) ESR1ADRA2AADORA3TACR2SLC6A2
Hydrochloric Acid SCHEMBL10935043 0.98 ESR1 (0.55) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL6409299 0.98 ESR1 (0.53) ESR1ADRA2AADORA3TACR2SLC6A2
Hydrochloric Acid SCHEMBL10820888 0.96 ESR1 (0.53) ESR1ADRA2AADORA3TACR2SLC6A2
Hydrochloric Acid SCHEMBL10820887 0.94 ESR1 (0.52) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL16697684 0.93 ESR1 (0.50) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190085246-A1 REACTIVE PERPENDICULAR ALIGNED ORGANOSILICON MATERIAL AND MANUFACTURE METHOD OF LIQUID CRYSTAL DISPLAY PANEL SHENZHEN CHINA STAR OPTOELECTRONICS TECHNOLOGY CO., LTD. (CN) 2019-03-21 — — US disclosed
US-10167426-B2 Reactive perpendicular aligned organosilicon material and manufacture method of liquid crystal display panel SHENZHEN CHINA STAR OPTOELECTRONICS TECHNOLOGY CO., LTD. (CN) 2019-01-01 — — US disclosed
US-20180030353-A1 REACTIVE PERPENDICULAR ALIGNED ORGANOSILICON MATERIAL AND MANUFACTURE METHOD OF LIQUID CRYSTAL DISPLAY PANEL SHENZHEN CHINA STAR OPTOELECTRONICS TECHNOLOGY CO., LTD. (CN) 2018-02-01 — — 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-20180030353-A1 REACTIVE PERPENDICULAR ALIGNED ORGANOSILICON MATERIAL AND MANUFACTURE METHOD OF LIQUID CRYSTAL DISPLAY PANEL VCL, C1S, CFH ESR1 3305/4885ADRA2A 3220/4885ADORA3 2138/4885
US-20190085246-A1 REACTIVE PERPENDICULAR ALIGNED ORGANOSILICON MATERIAL AND MANUFACTURE METHOD OF LIQUID CRYSTAL DISPLAY PANEL SCO2, VCL, SHROOM3 ESR1 3520/4885ADRA2A 3096/4885ADORA3 2112/4885
US-10167426-B2 Reactive perpendicular aligned organosilicon material and manufacture method of liquid crystal display panel VCL, C1S, CFH ESR1 3305/4885ADRA2A 3220/4885ADORA3 2138/4885

“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.

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