SCHEMBL1710728

SCHEMBL1710728

COc1ccc(SCC2CCCCC2)cc1C=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.59
METAP2 P50579 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2E1 P05181 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C8 P10632 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2B6 P20813 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TUBB1 Q9H4B7 1/20 0.39
HPGD P15428 3/20 0.38
PARP15 Q460N3 1/20 0.38
PARP10 Q53GL7 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL1710734 0.81 AR (0.42) ARCYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL7810762 0.81 MAOA (0.46) ARALDH1A1KDM4ETSHRTDP1
SCHEMBL1710987 0.81 AR (0.45) ARCYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL1710674 0.81 AR (0.42) ARERN1NPSR1LMNA
SCHEMBL1710812 0.79 AR (0.59) ARMETAP2CYP1A2CYP2E1CYP3A4
SCHEMBL31568099 0.77 AR (0.60) ARMETAP2CYP1A2CYP2E1CYP3A4
SCHEMBL31568145 0.77 AR (0.64) ARMETAP2CYP1A2CYP2E1CYP3A4
SCHEMBL7818843 0.76 ALDH1A1 (0.48) ARCYP1A2ALDH1A1KDM4ETSHR
SCHEMBL5103444 0.74 ALDH1A1 (0.53) CYP1A2CYP3A4ALDH1A1KDM4ETSHR
SCHEMBL1710779 0.73 AR (0.43) ARMETAP2CYP1A2CYP2E1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2344451-A2 SULFUR-LINKED COMPOUNDS FOR TREATING OPTHALMIC DISEASES AND DISORDERS Acucela, Inc. (US) 2011-07-20 EP disclosed
US-20100093865-A1 SULPHUR-LINKED COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-04-15 US disclosed
WO-2010028088-A2 SULFUR-LINKED COMPOUNDS FOR TREATING OPTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-03-11 WO 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-20100093865-A1 SULPHUR-LINKED COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ALDH1A2, MPST, CLN6 AR 4092/4885METAP2 1337/4885CYP1A2 4705/4885

“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.