SCHEMBL218384

SCHEMBL218384

CC(CCBr)Oc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
SLC6A4 P31645 2/20 0.41
LMNA P02545 1/20 0.39
LTA4H P09960 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MAOA P21397 2/20 0.36
PTGS1 P23219 1/20 0.36
CA4 P22748 1/20 0.36
GPR88 Q9GZN0 1/20 0.35
CYP1A2 P05177 1/20 0.35
GAA P10253 1/20 0.35
CYP2C9 P11712 1/20 0.35
PKM P14618 1/20 0.35
CYP2C19 P33261 1/20 0.35
CHRNB4 P30926 2/20 0.35
CHRNA3 P32297 2/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35

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
SCHEMBL3891935 0.83 MTNR1A (0.50) MTNR1AMTNR1BSLC6A4LMNALTA4H
SCHEMBL1454240 0.81 MTNR1A (0.49) MTNR1AMTNR1BSLC6A4LMNALTA4H
SCHEMBL10932816 0.80 PPARG (0.49) SLC6A4KDM4ECYP1A2MAPT
SCHEMBL4665496 0.79 MTNR1A (0.51) MTNR1AMTNR1BSLC6A4LMNALTA4H
SCHEMBL7404204 0.79 MTNR1A (0.47) MTNR1AMTNR1BSLC6A4LMNALTA4H
SCHEMBL7582723 0.79 MTNR1A (0.47) MTNR1AMTNR1BSLC6A4LMNALTA4H
SCHEMBL331604 0.79 MTNR1A (0.47) MTNR1AMTNR1BSLC6A4LMNALTA4H
SCHEMBL27629520 0.79 MTNR1A (0.51) MTNR1AMTNR1BSLC6A4LMNALTA4H
SCHEMBL11658593 0.78 SLC6A4 (0.39) MTNR1AMTNR1BSLC6A4LMNALTA4H
SCHEMBL2092589 0.78 MTNR1A (0.55) MTNR1AMTNR1BSLC6A4LMNALTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088758-B2 17β-hydroxysteroid dehydrogenase type I inhibitors ABBOTT PRODUCTS GMBH (DE) 2012-01-03 US disclosed
EP-1685150-B1 NOVEL 17beta HYDROXYSTEROID DEHYDROGENASE TYPE I INHIBITORS SOLVAY PHARM GMBH (DE) 2008-09-03 EP disclosed
EP-1685150-A2 NOVEL 17beta HYDROXYSTEROID DEHYDROGENASE TYPE I INHIBITORS Solvay Pharmaceuticals GmbH (DE) 2006-08-02 EP disclosed
US-20050192263-A1 3,15-substituted estrone compounds; treatment of steroid hormone dependent diseases such as breast cancer, colon cancer, endometriosis, benign prostatic hyperplasia SOLVAY PHARMACEUTICALS GMBH (DE) 2005-09-01 US disclosed
WO-2005047303-A2 NOVEL 17β HYDROXYSTEROID DEHYDROGENASE TYPE I INHIBITORS SOLVAY PHARMACEUTICALS GMBH (DE) 2005-05-26 WO disclosed
EP-0069290-B1 AZOLE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND FUNGICIDES CONTAINING THEM BASF Aktiengesellschaft (DE) 1984-09-05 EP disclosed
US-4456608-A Azole compounds, their preparation, and fungicides which contain these compounds BASF AKTIENGESELLSCHAFT (DE) 1984-06-26 US disclosed
US-4380546-A Azole compounds, their preparation, their use for crop treatment, and agents for this purpose BASF AKTIENGESELLSCHAFT (DE) 1983-04-19 US disclosed
EP-0069290-A1 Azole compounds, process for their preparation and fungicides containing them BASF Aktiengesellschaft (DE) 1983-01-12 EP disclosed
EP-0040350-A1 Azole compounds, their preparation, their use in treating plants, and agents therefor BASF Aktiengesellschaft (DE) 1981-11-25 EP 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-20050192263-A1 3,15-substituted estrone compounds; treatment of steroid hormone dependent diseases such as breast cancer, colon cancer, endometriosis, benign prostatic hyperplasia HSD17B11, HSD17B1, HSD17B3 MTNR1A 538/4885MTNR1B 661/4885SLC6A4 2069/4885

“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.