SCHEMBL1808816

SCHEMBL1808816

CCOc1cc([NH])c(Cl)cc1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ CYP3A4 P08684 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.43
▸ HTT P42858 2/20 0.43
▸ POLB P06746 2/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ LMNA P02545 4/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ MITF O75030 1/20 0.41
▸ PRKAB2 O43741 1/20 0.40
▸ PRKAG1 P54619 1/20 0.40
▸ PRKAA2 P54646 1/20 0.40
▸ PRKAA1 Q13131 1/20 0.40
▸ PRKAG3 Q9UGI9 1/20 0.40
▸ PRKAG2 Q9UGJ0 1/20 0.40
▸ PRKAB1 Q9Y478 1/20 0.40
▸ KMT2A Q03164 3/20 0.40

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
SCHEMBL1804450 0.86 HTT (0.50) TSHRCYP3A4KDM4EHTTLMNA
SCHEMBL1808576 0.81 KDM4E (0.50) HSD17B10KDM4EHTTRAB9ANPC1
SCHEMBL18334450 0.81 TSHR (0.53) TSHRHSD17B10CYP3A4KDM4EHTT
SCHEMBL99475 0.81 TSHR (0.53) TSHRHSD17B10CYP3A4KDM4EHTT
SCHEMBL2828736 0.80 TSHR (0.75) TSHRHSD17B10CYP3A4KDM4ELMNA
SCHEMBL11452642 0.78 TSHR (0.50) TSHRHSD17B10CYP3A4KDM4EHTT
SCHEMBL7797972 0.77 TSHR (0.53) TSHRHSD17B10CYP3A4KDM4EHTT
SCHEMBL6229101 0.76 ALDH1A1 (0.56) TSHRHSD17B10CYP3A4KDM4ELMNA
SCHEMBL7375557 0.76 TSHR (0.48) TSHRHSD17B10CYP3A4KDM4EPOLB
SCHEMBL11167484 0.74 HSD17B10 (0.49) TSHRHSD17B10CYP3A4HTTPOLB

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 TSHR 3565/4885HSD17B10 2848/4885CYP3A4 1680/4885

“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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