SCHEMBL522694

SCHEMBL522694

CCCOC(=O)c1cccc(F)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.64
ALDH1A1 P00352 3/20 0.56
ADRB2 P07550 1/20 0.53
ADRB1 P08588 1/20 0.53
ADRB3 P13945 1/20 0.53
TDP1 Q9NUW8 3/20 0.53
ESR1 P03372 2/20 0.53
CHRM1 P11229 1/20 0.53
TSHR P16473 1/20 0.53
SLC6A2 P23975 1/20 0.53
KDR P35968 1/20 0.53
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
POLB P06746 2/20 0.51
KDM4E B2RXH2 1/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 1/20 0.50
PAX8 Q06710 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ESR2 Q92731 1/20 0.49

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
SCHEMBL27430945 0.93 LMNA (0.55) LMNAALDH1A1ADRB2ADRB1ADRB3
SCHEMBL7471305 0.91 LMNA (0.54) LMNAALDH1A1ADRB2ADRB1ADRB3
SCHEMBL8759408 0.90 L3MBTL1 (0.56) LMNATDP1ESR1TSHRNPC1
SCHEMBL111664 0.88 LMNA (0.75) LMNAALDH1A1TDP1ESR1CHRM1
SCHEMBL641903 0.86 POLB (0.62) LMNAALDH1A1ADRB2ADRB1ADRB3
SCHEMBL31237097 0.86 POLB (0.62) LMNAALDH1A1ADRB2ADRB1ADRB3
SCHEMBL11354226 0.83 CES2 (0.52) LMNAALDH1A1ADRB2ADRB1ADRB3
SCHEMBL28953541 0.83 CES2 (0.52) LMNAALDH1A1ADRB2ADRB1ADRB3
SCHEMBL5165716 0.83 LMNA (0.68) LMNAALDH1A1TDP1ESR1CHRM1
SCHEMBL6057202 0.81 LMNA (0.66) LMNAALDH1A1TDP1ESR1CHRM1

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
EP-0647615-B1 Process for the preparation of 5-fluoroanthranilic acid alkyl esters and or 5-fluoroanthranilic acid HOECHST AG (DE) 1997-05-28 EP claimed
US-5543550-A NITRATING ALKYL ESTER OF 3-FLUOROBENZOIC ACID DISSOLVED IN SOLVENT-FREE SULFURIC ACID, THEN ADDING WATER, SEPARATION, HYDROLYSIS, PRESSURIZED CATALYTIC HYDROGENATION OF THE NITRATED ACID HOECHST AKTIENGESELLSCHAFT (DE) 1996-08-06 US claimed
CN-102365255-B Method for producing alcohol compound and catalyst therefor SUMITOMO CHEMICAL CO 2015-01-07 CN disclosed
CN-102365254-B Method for producing alcohol compound SUMITOMO CHEMICAL CO 2014-08-27 CN disclosed
CN-102365255-A Method for producing alcohol compound and catalyst therefor SUMITOMO CHEMICAL CO 2012-02-29 CN disclosed
CN-102365254-A Method for producing alcohol compound SUMITOMO CHEMICAL CO 2012-02-29 CN disclosed
EP-2415742-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND AND CATALYST THEREFOR Sumitomo Chemical Company, Limited (JP) 2012-02-08 EP disclosed
US-20120029195-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND AND CATALYST THEREFOR SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-02 US disclosed
US-20120010417-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-12 US disclosed
US-5543550-A NITRATING ALKYL ESTER OF 3-FLUOROBENZOIC ACID DISSOLVED IN SOLVENT-FREE SULFURIC ACID, THEN ADDING WATER, SEPARATION, HYDROLYSIS, PRESSURIZED CATALYTIC HYDROGENATION OF THE NITRATED ACID HOECHST AKTIENGESELLSCHAFT (DE) 1996-08-06 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-20120010417-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND ADH1A, ADH1C, ADH5 LMNA 3279/4885ALDH1A1 18/4885ADRB2 1429/4885
US-20120029195-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND AND CATALYST THEREFOR ADH1A, ADH1C, ADH5 LMNA 4306/4885ALDH1A1 33/4885ADRB2 2615/4885

“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.