SCHEMBL7270831

SCHEMBL7270831

Cc1cc(Cl)c(C(=O)Cl)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.52
▸ HTT P42858 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ KMT2A Q03164 4/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TPMT P51580 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ GPR35 Q9HC97 1/20 0.36
▸ HPGD P15428 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ MEN1 O00255 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34

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
SCHEMBL18033973 0.89 HTT (0.44) ALDH1A1HTTTSHRMAPTKMT2A
SCHEMBL321080 0.80 TPMT (0.48) ALDH1A1HTTTSHRKMT2ALMNA
SCHEMBL14339400 0.80 KMT2A (0.42) ALDH1A1HTTTSHRMAPTKMT2A
SCHEMBL5783909 0.80 ALDH1A1 (0.52) ALDH1A1HTTKMT2AGPR35HPGD
SCHEMBL333570 0.79 ALDH1A1 (0.56) ALDH1A1TSHRMAPTKMT2ALMNA
SCHEMBL7265798 0.78 POLB (0.48) ALDH1A1HTTTSHRMAPTKMT2A
SCHEMBL31619409 0.77 ALDH1A1 (0.54) ALDH1A1MAPTKMT2AHPGDMEN1
SCHEMBL246394 0.77 TAS1R3 (0.41) ALDH1A1HTTTSHRMAPTKMT2A
SCHEMBL104060 0.77 ALDH1A1 (0.54) ALDH1A1HTTTSHRMAPTKMT2A
SCHEMBL15571512 0.76 POLB (0.39) ALDH1A1MAPTKMT2AGPR35HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6201152-B1 HEATING MIXTURE OF METHYL-3,5-DICHLORO-4-METHYLBENZOATE AND ALPHA,ALPHA,ALPHA-TRICHLOROMETHYLBENZENE IN PRESENCE OF AMMONIUM MOLYBDATE CATALYST OCCIDENTAL CHEMICAL CORPORATION 2001-03-13 — — US claimed
EP-0816328-A2 Process for the manufacture of acetonylbenzamides ROHM AND HAAS COMPANY (US) 1998-01-07 — — EP claimed
US-5113016-A Manufacture of phthaloyl chlorides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-05-12 — — US claimed
US-8957228-B2 Macrolide compound having anticancer effect TOHOKU UNIVERSITY (JP) 2015-02-17 — — US disclosed
US-20130281714-A1 MACROLIDE COMPOUND HAVING ANTICANCER EFFECT TOHOKU UNIVERSITY (JP) 2013-10-24 — — US disclosed
US-6429334-B1 CATALYTIC REACTION OF ORGANIC ACID OR ANHYDRIDE AND PHOSGENE IN GROUP IV METAL HALIDE PRESENCE; CHLORINATION, BROMINATION, HALOGENATION, CATALYSIS E. I. DU PONT DE NEMOURS AND COMPANY 2002-08-06 — — US disclosed
US-6201152-B1 HEATING MIXTURE OF METHYL-3,5-DICHLORO-4-METHYLBENZOATE AND ALPHA,ALPHA,ALPHA-TRICHLOROMETHYLBENZENE IN PRESENCE OF AMMONIUM MOLYBDATE CATALYST OCCIDENTAL CHEMICAL CORPORATION 2001-03-13 — — US disclosed
US-6201152-B1 HEATING MIXTURE OF METHYL-3,5-DICHLORO-4-METHYLBENZOATE AND ALPHA,ALPHA,ALPHA-TRICHLOROMETHYLBENZENE IN PRESENCE OF AMMONIUM MOLYBDATE CATALYST OCCIDENTAL CHEMICAL CORPORATION 2001-03-13 — — US disclosed
US-6201152-B1 HEATING MIXTURE OF METHYL-3,5-DICHLORO-4-METHYLBENZOATE AND ALPHA,ALPHA,ALPHA-TRICHLOROMETHYLBENZENE IN PRESENCE OF AMMONIUM MOLYBDATE CATALYST OCCIDENTAL CHEMICAL CORPORATION 2001-03-13 — — US disclosed
US-5969200-A CHLORINATING PARA-TOLUOYL CHLORIDE IN PRESENCE OF CHLORINE GAS AND ALUMINUM CHLORIDE OR ANTIMONY CHLORIDE CATALYST, DISTILLING MIXTURE PRODUCED TO RECOVER 3,5-DICHLORO-4-METHYLBENZOYL CHLORIDE ROHM AND HAAS COMPANY (US) 1999-10-19 — — US disclosed
US-5945565-A SYNTHESIS OF 4-AMINO-3-CHLORO-5-(METHOXYIMINOMETHYL)BENZOYL CHLORIDE STARTING WITH THE CONVERSION OF 5-METHYL-4-NITRO-BENZOIC ACID TO 4-NITRO-5-(METHOXYIMINOMETHYL)-BENZOIC ACID, METHYL ESTER ROHM AND HAAS COMPANY (US) 1999-08-31 — — US disclosed
US-5874466-A REACTING AMINE AND ACYL CHLORIDE, HYDROGENOLYSIS ROHM AND HAAS COMPANY (US) 1999-02-23 — — US disclosed
EP-0816328-A2 Process for the manufacture of acetonylbenzamides ROHM AND HAAS COMPANY (US) 1998-01-07 — — EP disclosed
US-5113016-A Manufacture of phthaloyl chlorides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-05-12 — — US disclosed
EP-0151529-B1 5-(AMINO OR SUBSTITUTED AMINO)-1,2,3-TRIAZOLES MERCK & CO. INC. (US) 1991-09-18 — — EP disclosed
US-4590201-A ANTICOCCIDIAL AGENT FOR ANIMALS PARTICULARLY FOR POULTRY MERCK & CO., INC. (US) 1986-05-20 — — US disclosed
EP-0151529-A2 5-(Amino or substituted amino)-1,2,3-triazoles MERCK & CO. INC. (US) 1985-08-14 — — 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-20130281714-A1 MACROLIDE COMPOUND HAVING ANTICANCER EFFECT HDAC6, RPL21, MKI67 ALDH1A1 3785/4885HTT 2250/4885TSHR 4136/4885

“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.

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