4-Chloro Chalcone

4-Chloro Chalcone

SCHEMBL198518

O=C(/C=C\c1ccc(Cl)cc1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 1.00
CYP1B1 Q16678 2/20 0.86
MAPT P10636 4/20 0.75
LMNA P02545 2/20 0.75
BCHE P06276 2/20 0.75
PLIN1 O60240 1/20 0.75
TNFRSF1A P19438 1/20 0.75
ACHE P22303 1/20 0.75
RECQL P46063 1/20 0.75
PLIN5 Q00G26 1/20 0.75
ABHD5 Q8WTS1 1/20 0.75
CXCL12 P48061 1/20 0.72
CYP3A4 P08684 3/20 0.71
NFKB1 P19838 2/20 0.71
NFKB2 Q00653 2/20 0.71
RELA Q04206 2/20 0.71
HSPD1 P10809 1/20 0.71
PKM P14618 1/20 0.71
RAB9A P51151 1/20 0.71
HSPE1 P61604 1/20 0.71

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
4-Chloro Chalcone SCHEMBL197311 1.00 MAOB (1.00) MAOBCYP1B1MAPTLMNABCHE
4-Chloro Chalcone SCHEMBL197310 1.00 MAOB (1.00) MAOBCYP1B1MAPTLMNABCHE
SCHEMBL196425 0.93 CYP1B1 (1.00) MAOBCYP1B1MAPTLMNABCHE
SCHEMBL196424 0.93 CYP1B1 (1.00) MAOBCYP1B1MAPTLMNABCHE
SCHEMBL10415521 0.93 CYP1B1 (1.00) MAOBCYP1B1MAPTLMNABCHE
4',4-Dichlorochalcone SCHEMBL659210 0.90 MAOB (0.86) MAOBCYP1B1MAPTTNFRSF1ACXCL12
4',4-Dichlorochalcone SCHEMBL659211 0.90 MAOB (0.86) MAOBCYP1B1MAPTTNFRSF1ACXCL12
SCHEMBL9915665 0.90 CYP1B1 (0.91) MAOBCYP1B1MAPTLMNABCHE
SCHEMBL8431772 0.90 CYP1B1 (0.91) MAOBCYP1B1MAPTLMNABCHE
SCHEMBL657311 0.90 MAOB (0.81) MAOBCYP1B1MAPTLMNABCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8293905-B2 Bipyridine compound, transition metal complex, and method for production of conjugated aromatic compound using the transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-23 US disclosed
US-8088883-B2 Transition metal complex and process for producing conjugated aromatic compound using the transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-03 US disclosed
US-20110046336-A1 TRANSITION METAL COMPLEX AND PROCESS FOR PRODUCING CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX SUMITOMO CHEMICAL COMPANY, LIMITED 2011-02-24 US disclosed
US-20100184978-A1 BIPYRIDINE COMPOUND, TRANSITION METAL COMPLEX, AND METHOD FOR PRODUCTION OF CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-07-22 US disclosed
EP-2192124-A1 TRANSITION METAL COMPLEX AND PROCESS FOR PRODUCING CONJUGATED AROMATIC COMPOUND WITH THE TRANSITION METAL COMPLEX Sumitomo Chemical Company, Limited (JP) 2010-06-02 EP disclosed
EP-2172470-A1 BIPYRIDINE COMPOUND, TRANSITION METAL COMPLEX, AND METHOD FOR PRODUCTION OF CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX Sumitomo Chemical Company, Limited (JP) 2010-04-07 EP disclosed
US-4910303-A Cataltyic reaction using N-alkylbis(2-hydroxyalkyl)amine TEXACO CHEMICAL COMPANY (US) 1990-03-20 US disclosed
US-3989708-A HYPOTENSIVE, CORONARY VESSEL DILATORS BAYER AKTIENGESELLSCHAFT (DT) 1976-11-02 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-20110046336-A1 TRANSITION METAL COMPLEX AND PROCESS FOR PRODUCING CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX C9, C5, AP1M1 MAOB 304/4885CYP1B1 26/4885MAPT 783/4885
US-20100184978-A1 BIPYRIDINE COMPOUND, TRANSITION METAL COMPLEX, AND METHOD FOR PRODUCTION OF CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX C9, C5, AP2M1 MAOB 335/4885CYP1B1 15/4885MAPT 1124/4885

“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.