SCHEMBL21049843

SCHEMBL21049843

CCCC(CCC)(N=[N+]=[N-])c1ccc(OCCBr)cc1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.34
▸ ALDH1A1 P00352 4/20 0.34
▸ LMNA P02545 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ USP2 O75604 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ LTA4H P09960 3/20 0.31
▸ CYP1A1 P04798 1/20 0.31
▸ CYP1B1 Q16678 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ PLK1 P53350 1/20 0.31
▸ NR5A1 Q13285 1/20 0.30

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
SCHEMBL21049817 0.89 HRH3 (0.33) HRH3SMN1; SMN2CYP3A4
SCHEMBL21049808 0.79 LTA4H (0.46) HRH3ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL21049804 0.77 ALDH1A1 (0.56) HRH3ALDH1A1LMNASMN1; SMN2USP2
SCHEMBL21049834 0.74 EBP (0.47) HRH3HTTSMN1; SMN2KMT2ALTA4H
SCHEMBL21049819 0.73 HRH3 (0.58) HRH3ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL21049816 0.73 L3MBTL1 (0.35) HRH3ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL13303281 0.69 LTA4H (0.57) TSHRLTA4HGAARAB9ACYP3A4
SCHEMBL1586530 0.68 KDM4E (0.54) HRH3ALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL3267040 0.68 SMN1; SMN2 (0.56) ALDH1A1LMNAHTTSMN1; SMN2TSHR
SCHEMBL8140756 0.67 NPC1 (0.47) ALDH1A1SMN1; SMN2LTA4HGAARAB9A

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
EP-3707125-A1 CAFFEIC ACID DERIVATIVES FOR TREATING HYPERPROLIFERATIVE DISEASES Board Of Regents, The University Of Texas System (US) 2020-09-16 — — EP disclosed
US-10703721-B2 Caffeic acid derivatives and uses thereof BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2020-07-07 — — US disclosed
US-20190177276-A1 CAFFEIC ACID DERIVATIVES AND USES THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2019-06-13 — — 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 (2 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-10703721-B2 Caffeic acid derivatives and uses thereof GLS, GLS2, NCOA2 HRH3 3249/4885ALDH1A1 204/4885LMNA 3017/4885
US-20190177276-A1 CAFFEIC ACID DERIVATIVES AND USES THEREOF GLS, GLS2, NCOA2 HRH3 3249/4885ALDH1A1 204/4885LMNA 3017/4885

“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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