SCHEMBL17154281

SCHEMBL17154281

Cc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(-c3ccc(O)cc3)sc2c1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 20/20 0.85
ESR2 Q92731 19/20 0.85
MEN1 O00255 2/20 0.62
ALDH1A1 P00352 2/20 0.62
LMNA P02545 2/20 0.62
TP53 P04637 2/20 0.62
CYP3A4 P08684 2/20 0.62
MAPT P10636 2/20 0.62
ALOX15 P16050 2/20 0.62
KMT2A Q03164 2/20 0.62
HSD17B10 Q99714 2/20 0.62
TDP1 Q9NUW8 2/20 0.62
PLD2 O14939 1/20 0.62
KDM1A O60341 1/20 0.62
NR1I2 O75469 1/20 0.62
USP2 O75604 1/20 0.62
C5 P01031 1/20 0.62
FYN P06241 1/20 0.62
PGR P06401 1/20 0.62
ADRA2A P08913 1/20 0.62

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
SCHEMBL12308318 0.94 ESR1 (0.89) ESR1ESR2MEN1ALDH1A1LMNA
SCHEMBL3743164 0.92 ESR1 (1.00) ESR1ESR2MEN1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL3807019 0.91 ESR1 (1.00) ESR1ESR2MEN1ALDH1A1LMNA
SCHEMBL7517965 0.91 ESR1 (0.98) ESR1ESR2MEN1ALDH1A1LMNA
SCHEMBL17154283 0.91 ESR1 (0.80) ESR1ESR2PTGS2
SCHEMBL7450925 0.91 ESR1 (0.89) ESR1ESR2MEN1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL7942899 0.90 ESR1 (0.98) ESR1ESR2MEN1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL7460587 0.90 ESR1 (0.88) ESR1ESR2MEN1ALDH1A1LMNA
Arzoxifene SCHEMBL29354336 0.89 ESR1 (1.00) ESR1ESR2MEN1ALDH1A1LMNA
Arzoxifene SCHEMBL285277 0.89 ESR1 (1.00) ESR1ESR2MEN1ALDH1A1LMNA

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-20170114052-A1 COMPOSITIONS AND METHODS FOR TREATING ESTROGEN-RELATED MEDICAL DISORDERS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2017-04-27 US disclosed
US-20150284357-A1 COMPOSITIONS AND METHODS FOR TREATING ESTROGEN-RELATED MEDICAL DISORDERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-10-08 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-20150284357-A1 COMPOSITIONS AND METHODS FOR TREATING ESTROGEN-RELATED MEDICAL DISORDERS HSD17B11, CYP19A1, ESR1 ESR1 3/4885ESR2 5/4885MEN1 781/4885
US-20170114052-A1 COMPOSITIONS AND METHODS FOR TREATING ESTROGEN-RELATED MEDICAL DISORDERS HSD17B11, CYP19A1, ESR1 ESR1 3/4885ESR2 5/4885MEN1 781/4885

“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.