SCHEMBL1758255

SCHEMBL1758255

Cc1ccc(C(=O)c2ccc(C)c(O)c2)cc1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
HSD17B1 P14061 5/20 0.54
CLK1 P49759 1/20 0.54
DYRK1A Q13627 1/20 0.54
DYRK1B Q9Y463 1/20 0.54
HSD17B2 P37059 3/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2B6 P20813 1/20 0.51
CYP2C19 P33261 1/20 0.51
SLC22A6 Q4U2R8 1/20 0.50
SLC22A8 Q8TCC7 1/20 0.50
SIRT1 Q96EB6 1/20 0.50
LMNA P02545 2/20 0.48
NPC1 O15118 1/20 0.48
MITF O75030 1/20 0.48
POLB P06746 1/20 0.48

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
SCHEMBL11323456 0.92 HTT (0.75) HTTSMN1; SMN2HSD17B1CLK1DYRK1A
SCHEMBL3080812 0.90 ATM (0.63) HTTSMN1; SMN2HSD17B1HSD17B2LMNA
SCHEMBL1550819 0.84 PKM (0.52) HTTSMN1; SMN2HSD17B1CLK1DYRK1A
SCHEMBL29555158 0.84 KDM4E (0.64) HTTSMN1; SMN2CYP1A2LMNAPOLB
SCHEMBL71388 0.84 KDM4E (0.64) HTTSMN1; SMN2CYP1A2LMNAPOLB
SCHEMBL10420429 0.82 CA12 (0.59) HTTSMN1; SMN2HSD17B1LMNANPC1
SCHEMBL4276908 0.82 TRPA1 (0.47) HTTSMN1; SMN2HSD17B1CLK1DYRK1A
SCHEMBL31574429 0.82 HTT (0.57) HTTSMN1; SMN2HSD17B1DYRK1ADYRK1B
SCHEMBL1805871 0.82 LCK (0.53) HTTSMN1; SMN2HSD17B1CLK1DYRK1A
SCHEMBL31621156 0.81 HTT (0.61) HTTSMN1; SMN2HSD17B1DYRK1ADYRK1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022068900-A1 POSITIVE PHOTOSENSITIVE POLYAMIDE ESTER RESIN AND COMPOSITION USING SAME 明士(北京)新材料开发有限公司 2022-04-07 WO disclosed
EP-1767090-B1 CLATHRATE COMPOUND, METHOD OF CONTROLLING CONCENTRATION OF AQUEOUS SOLUTION OF AGRICULTURAL-CHEMICAL ACTIVE INGREDIENT, AND AGRICULTURAL-CHEMICAL PREPARATION NIPPON SODA CO (JP) 2015-08-12 EP disclosed
US-7943803-B2 Clathrate compound, method for controlling concentration of aqueous agricultural chemical active ingredient solution, and agricultural chemical formulation NIPPON SODA CO., LTD. (JP) 2011-05-17 US disclosed
EP-1828278-B1 BRANCHED AND SULPHONATED MULTI BLOCK COPOLYMER AND ELECTROLYTE MEMBRANE USING THE SAME LG CHEMICAL LTD (KR) 2011-01-26 EP disclosed
US-20100274006-A1 Clathrate compound, method for controlling concentration of aqueous agricultural chemical active ingredient solution, and agricultural chemical formulation NIPPON SODA CO., LTD (JP) 2010-10-28 US disclosed
US-7737309-B2 Clathrate compound, method for controlling concentration of aqueous agricultural chemical active ingredient solution, and agricultural chemical formulation NIPPON SODA CO., LTD. (JP) 2010-06-15 US disclosed
US-20070281929-A1 Clathrate Compound, Method for Controlling Concentration of Aqueous Agricultural Chemical Active Ingredient Solution, and Agricultural Chemical Formulation NIPPON SODA CO., LTD. (JP) 2007-12-06 US disclosed
EP-1767090-A1 CLATHRATE COMPOUND, METHOD OF CONTROLLING CONCENTRATION OF AQUEOUS SOLUTION OF AGRICULTURAL-CHEMICAL ACTIVE INGREDIENT, AND AGRICULTURAL-CHEMICAL PREPARATION NIPPON SODA CO., LTD. (JP) 2007-03-28 EP 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 (2 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-20100274006-A1 Clathrate compound, method for controlling concentration of aqueous agricultural chemical active ingredient solution, and agricultural chemical formulation STOM, ALB, GANC HTT 70/4885SMN1; SMN2 4433/4885HSD17B1 3498/4885
US-20070281929-A1 Clathrate Compound, Method for Controlling Concentration of Aqueous Agricultural Chemical Active Ingredient Solution, and Agricultural Chemical Formulation CA3, CA2, STOM HTT 389/4885SMN1; SMN2 4591/4885HSD17B1 2569/4885

“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.