SCHEMBL21049831

SCHEMBL21049831

CCC(N)(CC)c1ccc(OCCOCCN2CCN(C)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ HRH3 Q9Y5N1 6/20 0.49
▸ MAOB P27338 5/20 0.49
▸ USP2 O75604 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ TAAR1 Q96RJ0 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ LTA4H P09960 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
SCHEMBL21049826 0.88 TSHR (0.64) KDM4EALDH1A1HRH3USP2CYP1A2
SCHEMBL21049806 0.82 KDM4E (0.52) KDM4EALDH1A1HRH3USP2HPGD
SCHEMBL22401399 0.80 KDM4E (0.48) KDM4EALDH1A1HRH3RAB9A
SCHEMBL20234897 0.79 ALDH1A1 (0.62) KDM4EALDH1A1HRH3USP2HPGD
SCHEMBL21049821 0.79 ALDH1A1 (0.44) KDM4EALDH1A1HRH3MAOBUSP2
SCHEMBL21049815 0.78 KDM4E (0.44) KDM4EALDH1A1HRH3RAB9A
SCHEMBL678629 0.75 KDM4E (0.79) KDM4EALDH1A1HRH3USP2HPGD
SCHEMBL20231184 0.74 RAB9A (0.59) KDM4EALDH1A1HRH3USP2HPGD
SCHEMBL14093238 0.74 HRH3 (0.78) KDM4EALDH1A1HRH3MAOBUSP2
SCHEMBL26382883 0.72 RAB9A (0.69) KDM4EALDH1A1HRH3USP2HPGD

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 KDM4E 1666/4885ALDH1A1 204/4885HRH3 3249/4885
US-20190177276-A1 CAFFEIC ACID DERIVATIVES AND USES THEREOF GLS, GLS2, NCOA2 KDM4E 1666/4885ALDH1A1 204/4885HRH3 3249/4885

“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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