SCHEMBL1710745

SCHEMBL1710745

Cc1cc(C=O)cc(SCC2CCCCC2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.37
METAP2 P50579 3/20 0.34
ALDH1A1 P00352 2/20 0.33
GPR84 Q9NQS5 1/20 0.33
DAO P14920 1/20 0.33
ADH1B P00325 1/20 0.32
ADH1C P00326 1/20 0.32
ADH1A P07327 1/20 0.32
ADH4 P08319 1/20 0.32
ADH7 P40394 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2E1 P05181 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C8 P10632 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2B6 P20813 1/20 0.32
CYP2C19 P33261 1/20 0.32
KDM6B O15054 1/20 0.31
KDM4A O75164 1/20 0.31

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
SCHEMBL1710777 0.82 AR (0.40) ARGPR84DAOADH1BADH1C
SCHEMBL1710817 0.82 GPR84 (0.39) ARMETAP2ALDH1A1GPR84DAO
SCHEMBL1710779 0.82 AR (0.43) ARMETAP2ALDH1A1CYP1A2CYP2E1
SCHEMBL13400236 0.78 AR (0.41) ARALDH1A1GPR84DAO
SCHEMBL1710917 0.77 AR (0.37) ARMETAP2ALDH1A1DAOCYP1A2
SCHEMBL13432934 0.77 ALOX5 (0.38) ARALDH1A1CYP1A2CYP2E1CYP3A4
SCHEMBL1710735 0.76 AR (0.41) ARALDH1A1CYP1A2CYP2E1CYP3A4
SCHEMBL1722332 0.76 AR (0.42) ARALDH1A1GPR84
SCHEMBL1710780 0.75 AR (0.39) ARMETAP2ALDH1A1GPR84DAO
SCHEMBL1710626 0.74 AR (0.39) ARGPR84DAOADH1BADH1C

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 1337/4885ALDH1A1 314/4885

“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.