SCHEMBL7598667

SCHEMBL7598667

CC(Oc1ccc(C(=O)c2ccccc2)cc1)N(C)C

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ELANE P08246 7/20 0.57
HPGD P15428 3/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
SRD5A2 P31213 3/20 0.51
ABCB1 P08183 1/20 0.49
ALDH1A1 P00352 3/20 0.47
KMT2A Q03164 1/20 0.47
ACHE P22303 1/20 0.47
STS P08842 1/20 0.46
GAA P10253 1/20 0.46
LMNA P02545 1/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46

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
SCHEMBL9097340 0.86 SRD5A2 (0.63) RAB9ASRD5A2ALDH1A1GAALMNA
SCHEMBL23072059 0.83 ELANE (0.60) ELANEHPGDRAB9ASRD5A2ABCB1
SCHEMBL1534312 0.82 KMT2A (0.69) ELANESRD5A2ALDH1A1KMT2ASTS
SCHEMBL18978115 0.82 KMT2A (0.69) ELANESRD5A2ALDH1A1KMT2ASTS
SCHEMBL6046950 0.81 ELANE (0.62) ELANEHPGDRAB9ASRD5A2ABCB1
SCHEMBL7602706 0.80 PPARG (0.50) RAB9ASRD5A2ALDH1A1STSGAA
SCHEMBL7602308 0.80 PPARG (0.56) HPGDNPC1RAB9ASRD5A2KMT2A
SCHEMBL7015768 0.80 MAOA (0.46) HPGDALDH1A1KMT2AGAALMNA
SCHEMBL12852977 0.79 CYP1A2 (0.69) ELANEHPGDRAB9ASRD5A2ALDH1A1
SCHEMBL18978109 0.78 KMT2A (0.62) ELANESRD5A2ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020161007-A1 Non-steroidal modulators of estrogen receptors PROVOST, FELLOWS AND SCHOLARS OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH, NEAR DUBLIN (IE) 2002-10-31 US disclosed
WO-2002066415-A2 NON-STEROIDAL MODULATORS OF ESTROGEN RECEPTORS THE PROVOST, FELLOWS AND SCHOLARS OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH NEAR DUBLIN (IE) 2002-08-29 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 (1 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-20020161007-A1 Non-steroidal modulators of estrogen receptors ESRRB, ESR2, ESRRG ELANE 1218/4885HPGD 206/4885NPC1 3011/4885

“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.