SCHEMBL3389330

SCHEMBL3389330

NCCCc1cccc(SCC2(O)CCCCC2)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.39
HTR2C P28335 1/20 0.39
ALDH1A1 P00352 4/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 1/20 0.34
TAAR1 Q96RJ0 2/20 0.33
DRD2 P14416 1/20 0.33
DRD1 P21728 1/20 0.33
NOS1 P29475 1/20 0.33
MAOA P21397 1/20 0.33
CYP2A6 P11509 1/20 0.32
GAA P10253 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 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
SCHEMBL611370 0.79 MAPK14 (0.40) HTR6TAAR1DRD2DRD1NOS1
SCHEMBL611797 0.79 MAPK14 (0.40) HTR6TAAR1DRD2DRD1NOS1
SCHEMBL610832 0.79 MAPK14 (0.40) HTR6TAAR1DRD2DRD1NOS1
SCHEMBL18097918 0.77 OPRM1 (0.43) HTR6TAAR1DRD2DRD1NOS1
SCHEMBL611371 0.77 MAPK14 (0.41) HTR6TAAR1DRD2DRD1NOS1
SCHEMBL1725270 0.75 ALDH1A1 (0.40) ALDH1A1MAPK1TDP1SMN1; SMN2LMNA
SCHEMBL1710445 0.75 MAOA (0.43) ALDH1A1MAPK1TDP1SMN1; SMN2LMNA
SCHEMBL1722655 0.74 ALDH1A1 (0.33) ALDH1A1MAPK1TDP1SMN1; SMN2
SCHEMBL2207427 0.74 TAAR1 (0.40) TAAR1CYP2D6
SCHEMBL2205014 0.74 TAAR1 (0.40) TAAR1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100093865-A1 SULPHUR-LINKED COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-04-15 US disclosed
US-20100093865-A1 SULPHUR-LINKED COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-04-15 US 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 HTR6 1538/4885HTR2C 4429/4885ALDH1A1 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.