SCHEMBL1807098

SCHEMBL1807098

COc1ccc(S(=O)(=O)O)cc1CCO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASR P41180 1/20 0.45
▸ MAPK1 P28482 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ EPAS1 Q99814 1/20 0.41
▸ HTR6 P50406 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ SLC2A1 P11166 1/20 0.40
▸ ADRA1A P35348 1/20 0.39
▸ TAAR1 Q96RJ0 1/20 0.39
▸ S1PR3 Q99500 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ MMP1 P03956 1/20 0.39
▸ MMP2 P08253 1/20 0.39
▸ MMP9 P14780 1/20 0.39
▸ MMP8 P22894 1/20 0.39
▸ MMP13 P45452 1/20 0.39
▸ GPBAR1 Q8TDU6 1/20 0.38
▸ LMNA P02545 1/20 0.38

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
SCHEMBL1807097 0.87 CASR (0.45) CASRMAPK1POLBTSHRHTR6
SCHEMBL1806756 0.87 CASR (0.47) CASRMAPK1POLBTSHREPAS1
SCHEMBL1808110 0.86 CASR (0.44) CASRMAPK1POLBTSHRHTR6
SCHEMBL1808113 0.86 TAAR1 (0.57) CASRHTR6ADRA1ATAAR1
SCHEMBL1808414 0.86 GAA (0.51) TSHRCA1CA2LMNA
Hydrochloric Acid SCHEMBL27738672 0.83 CASR (0.47) CASRMAPK1POLBTSHRSMN1; SMN2
SCHEMBL1806755 0.83 CASR (0.47) CASRMAPK1POLBTSHRSMN1; SMN2
SCHEMBL1803947 0.82 CASR (0.46) CASRMAPK1POLBTSHRSMN1; SMN2
SCHEMBL1803953 0.82 CASR (0.49) CASRMAPK1POLBTSHRHTR6
SCHEMBL20222988 0.79 CASR (0.44) CASRMAPK1POLBTSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404036-B2 Water-soluble near-infrared absorbing coloring matters and aqueous inks containing same NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-03-26 — — US disclosed
US-20110123784-A1 WATER-SOLUBLE NEAR-INFRARED ABSORBING COLORING MATTERS AND AQUEOUS INKS CONTAINING SAME NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2011-05-26 — — 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 (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-20110123784-A1 WATER-SOLUBLE NEAR-INFRARED ABSORBING COLORING MATTERS AND AQUEOUS INKS CONTAINING SAME IK, RB1, COL1A1 CASR 4462/4885MAPK1 926/4885POLB 3927/4885

“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.

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