SCHEMBL1697502

SCHEMBL1697502

O=CC(=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.61
TSHR P16473 1/20 0.61
CASP1 P29466 1/20 0.61
MAPT P10636 6/20 0.57
ALDH1A1 P00352 4/20 0.57
MAPK1 P28482 1/20 0.55
HIF1A Q16665 1/20 0.55
KDM4E B2RXH2 2/20 0.53
SRD5A2 P31213 1/20 0.53
RAB9A P51151 5/20 0.53
NPC1 O15118 3/20 0.53
HPGD P15428 3/20 0.49
POLB P06746 2/20 0.49
ERCC5 P28715 1/20 0.49
FEN1 P39748 1/20 0.49
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
TDP1 Q9NUW8 2/20 0.47
HTT P42858 2/20 0.47
PKM P14618 1/20 0.47

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
SCHEMBL30513965 1.00 SMN1; SMN2 (0.61) SMN1; SMN2TSHRCASP1MAPTALDH1A1
SCHEMBL30513966 0.83 ALDH1A1 (0.61) SMN1; SMN2TSHRCASP1ALDH1A1KDM4E
SCHEMBL11681042 0.83 ALDH1A1 (0.61) SMN1; SMN2TSHRCASP1ALDH1A1KDM4E
SCHEMBL1349424 0.82 SMN1; SMN2 (0.59) SMN1; SMN2TSHRCASP1MAPTALDH1A1
SCHEMBL2771192 0.81 MAPT (0.44) SMN1; SMN2TSHRCASP1MAPTALDH1A1
SCHEMBL10999586 0.80 ALDH1A1 (0.63) SMN1; SMN2TSHRCASP1MAPTALDH1A1
SCHEMBL27637606 0.80 JAK2 (0.47) SMN1; SMN2TSHRCASP1MAPTALDH1A1
SCHEMBL11241838 0.80 RAB9A (0.58) SMN1; SMN2TSHRCASP1MAPTALDH1A1
SCHEMBL11241833 0.80 RAB9A (0.58) SMN1; SMN2TSHRCASP1MAPTALDH1A1
SCHEMBL7995109 0.80 TSHR (0.38) SMN1; SMN2TSHRCASP1MAPTALDH1A1

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
CN-116496151-A Method for preparing fluorenone derivative by using Catellani strategy 长沙医学院 2023-07-28 CN disclosed
EP-2609067-A1 PROCESS FOR PRODUCING CARBOXYLIC ACID ESTER Sumitomo Chemical Co., Ltd (JP) 2013-07-03 EP disclosed
US-20130150611-A1 PROCESS FOR PRODUCING CARBOXYLIC ACID ESTER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-06-13 US disclosed
US-20130109884-A1 PROCESS FOR PRODUCING ALPHA-KETOCARBOXYLIC ACID SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-05-02 US disclosed
EP-2585427-A1 PROCESS FOR PRODUCING ALPHA-KETOCARBOXYLIC ACID Sumitomo Chemical Company Limited (JP) 2013-05-01 EP disclosed
WO-2013018626-A1 METHOD FOR PRODUCING ALPHA-KETOALDEHYDE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-02-07 WO disclosed
WO-2012176930-A1 PROCESS FOR PRODUCING CARBOXYLIC ACID ESTER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-12-27 WO disclosed
WO-2012026617-A1 PROCESS FOR PRODUCING CARBOXYLIC ACID ESTER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-03-01 WO disclosed
WO-2011162404-A1 PROCESS FOR PRODUCING ALPHA-KETOCARBOXYLIC ACID SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-12-29 WO disclosed
EP-0204172-B1 PHENYLPYRAZINE DERIVATIVES, PROCESSES FOR PREPARING THEM, PHARMACEUTICAL COMPOSITION AND USE SUNTORY LIMITED (JP) 1990-09-19 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 (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-20130109884-A1 PROCESS FOR PRODUCING ALPHA-KETOCARBOXYLIC ACID ALDH18A1, MCCC2, ALDH7A1 SMN1; SMN2 4535/4885TSHR 4683/4885CASP1 338/4885
US-20130150611-A1 PROCESS FOR PRODUCING CARBOXYLIC ACID ESTER ADH5, ADH1A, ADH1C SMN1; SMN2 2974/4885TSHR 975/4885CASP1 3490/4885

“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.