SCHEMBL1036503

SCHEMBL1036503

CCCC(Br)(CC)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
CYP1A2 P05177 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 2/20 0.35
THRB P10828 1/20 0.35
HDAC1 Q13547 2/20 0.33
HDAC2 Q92769 2/20 0.33
CHRM1 P11229 1/20 0.33
AKR1A1 P14550 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
FFAR3 O14843 2/20 0.32
HDAC3 O15379 1/20 0.32
HDAC8 Q9BY41 1/20 0.32

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
SCHEMBL1732836 1.00 MEN1 (0.35) MEN1CYP1A2KMT2AALDH1A1THRB
SCHEMBL1732567 1.00 MEN1 (0.35) MEN1CYP1A2KMT2AALDH1A1THRB
SCHEMBL10412072 0.90 HDAC1 (0.36) MEN1CYP1A2KMT2AALDH1A1THRB
SCHEMBL6045545 0.86 PPARD (0.38) MEN1KMT2AALDH1A1TDP1LCK
SCHEMBL6045650 0.84 PPARD (0.41) MEN1KMT2AALDH1A1TDP1LCK
SCHEMBL1449044 0.84
SCHEMBL28392031 0.83 MEN1 (0.34) MEN1CYP1A2KMT2AALDH1A1THRB
SCHEMBL11156087 0.82 PPARD (0.44) MEN1KMT2AALDH1A1TDP1LCK
SCHEMBL6931988 0.82 PPARD (0.44) MEN1KMT2AALDH1A1TDP1LCK
SCHEMBL7776233 0.82 PPARD (0.44) MEN1KMT2AALDH1A1TDP1LCK

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 62 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11407721-B2 CIS-morpholinone and other compounds as MDM2 inhibitors for the treatment of cancer AMGEN INC. (US) 2022-08-09 US disclosed
US-20180354918-A1 CIS-MORPHOLINONE AND OTHER COMPOUNDS AS MDM2 INHIBITORS FOR THE TREATMENT OF CANCER AMGEN INC. (US) 2018-12-13 US disclosed
EP-2958902-B1 CIS-MORPHOLINONE AND OTHER COMPOUNDS AS MDM2 INHIBITORS FOR THE TREATMENT OF CANCER AMGEN INC (US) 2017-11-15 EP disclosed
EP-2323991-B1 CHYMASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2017-05-31 EP disclosed
US-9284323-B2 Naphthalene acetic acid derivatives against HIV infection GILEAD SCIENCES, INC. (US) 2016-03-15 US disclosed
US-20160002185-A1 CIS-MORPHOLINONE AND OTHER COMPOUNDS AS MDM2 INHIBITORS FOR THE TREATMENT OF CANCER AMGEN INC. (US) 2016-01-07 US disclosed
EP-2958902-A1 CIS-MORPHOLINONE AND OTHER COMPOUNDS AS MDM2 INHIBITORS FOR THE TREATMENT OF CANCER Amgen Inc. (US) 2015-12-30 EP disclosed
US-20150111891-A1 NAPHTHALENE ACETIC ACID DERIVATIVES AGAINST HIV INFECTION GILEAD SCIENCES, INC. (US) 2015-04-23 US disclosed
US-8969348-B2 Chymase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-03-03 US disclosed
EP-2757096-A9 Inhibitors of human immunodeficiency virus replication GILEAD SCIENCES, INC. (US) 2014-11-26 EP disclosed
EP-0372410-A2 Use of heterocyclic amides to inhibit tumor metastasis G.D. Searle & Co. (US) 1990-06-13 EP disclosed
US-4616092-A β-formyl-β-hydroxy ester SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-10-07 US disclosed
EP-0190682-A2 Novel disubstituted 4-hydroxyphenylthio anilides G.D. Searle & Co. (US) 1986-08-13 EP disclosed
EP-0190685-A2 Heterocyclic amides G.D. Searle & Co. (US) 1986-08-13 EP disclosed
EP-0156245-A1 7-oxabicycloheptane substituted prostaglandin interphenylene analogs E.R. Squibb & Sons, Inc. (US) 1985-10-02 EP disclosed
US-4536513-A 7-Oxabicycloheptane substituted prostaglandin interphenylene analogs useful in the treatment of thrombolytic disease E. R. SQUIBB & SONS, INC. (US) 1985-08-20 US disclosed
US-4522949-A 7-Oxabicycloheptane substituted prostaglandin interphenylene analogs useful as cardiovascular agents E. R. SQUIBB & SONS, INC. (US) 1985-06-11 US disclosed
US-4428963-A ANTILIPEMIC, ANTIOBESITY HOFFMANN-LA ROCHE INC. (US) 1984-01-31 US disclosed
US-4317915-A ANTILIPEMIC, ANTIOBESITY HOFFMANN-LA ROCHE INC. (US) 1982-03-02 US disclosed
US-4148998-A ANTIBIOTICS YEDA RESEARCH AND DEVELOPMENT CO., LTD. (IL) 1979-04-10 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 (4 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-20150111891-A1 NAPHTHALENE ACETIC ACID DERIVATIVES AGAINST HIV INFECTION NFATC1, ACIN1, NAAA MEN1 4165/4885CYP1A2 1211/4885KMT2A 2999/4885
US-20180354918-A1 CIS-MORPHOLINONE AND OTHER COMPOUNDS AS MDM2 INHIBITORS FOR THE TREATMENT OF CANCER MDM2, TP53, MDM4 MEN1 242/4885CYP1A2 1881/4885KMT2A 2836/4885
US-11407721-B2 CIS-morpholinone and other compounds as MDM2 inhibitors for the treatment of cancer MDM2, TP53, MDM4 MEN1 242/4885CYP1A2 1881/4885KMT2A 2836/4885
US-20160002185-A1 CIS-MORPHOLINONE AND OTHER COMPOUNDS AS MDM2 INHIBITORS FOR THE TREATMENT OF CANCER MDM2, TP53, MDM4 MEN1 263/4885CYP1A2 1976/4885KMT2A 2809/4885

“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.