SCHEMBL17722812

SCHEMBL17722812

CCC(C)(CC)c1c(O)ccc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 3/20 0.47
▸ CYP1A2 P05177 2/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ PTPN22 Q9Y2R2 1/20 0.47
▸ KDM4E B2RXH2 5/20 0.45
▸ MAPT P10636 4/20 0.45
▸ TDP1 Q9NUW8 2/20 0.45
▸ ALDH1A1 P00352 4/20 0.44
▸ GAA P10253 3/20 0.44
▸ TAAR1 Q96RJ0 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ USP2 O75604 1/20 0.43
▸ PAK1 Q13153 1/20 0.43
▸ GLA P06280 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ ERN1 O75460 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ TSHR P16473 1/20 0.41

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
SCHEMBL18183804 0.84 HSD17B10 (0.48) HSD17B10CYP1A2CYP2C9CYP2C19PTPN22
SCHEMBL8388759 0.81 PTPN22 (0.50) HSD17B10CYP1A2CYP2C9CYP2C19PTPN22
SCHEMBL31356444 0.81 PTPN22 (0.54) HSD17B10CYP1A2CYP2C9CYP2C19PTPN22
SCHEMBL20398800 0.81 PTPN22 (0.54) HSD17B10CYP1A2CYP2C9CYP2C19PTPN22
SCHEMBL2221239 0.81 PTPN22 (0.54) HSD17B10CYP1A2CYP2C9CYP2C19PTPN22
SCHEMBL23499948 0.79 PTPN22 (0.52) HSD17B10CYP1A2CYP2C9CYP2C19PTPN22
SCHEMBL11549229 0.79 HSD17B10 (0.44) HSD17B10CYP1A2CYP2C9CYP2C19PTPN22
SCHEMBL17722809 0.79 IDO1 (0.41) HSD17B10CYP1A2CYP2C9KDM4EMAPT
SCHEMBL5596944 0.78 PTPN22 (0.50) HSD17B10CYP1A2CYP2C9CYP2C19PTPN22
SCHEMBL23861563 0.76 PTPN22 (0.48) HSD17B10CYP1A2CYP2C9CYP2C19PTPN22

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160122269-A1 COMPOUND CONTAINING PHENOLIC HYDROXYL GROUP, PHENOLIC RESIN, CURABLE COMPOSITION, CURED PRODUCT THEREOF, SEMICONDUCTOR SEALING MATERIAL, AND PRINTED CIRCUIT BOARD DIC CORPORATION (JP) 2016-05-05 — — 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-20160122269-A1 COMPOUND CONTAINING PHENOLIC HYDROXYL GROUP, PHENOLIC RESIN, CURABLE COMPOSITION, CURED PRODUCT THEREOF, SEMICONDUCTOR SEALING MATERIAL, AND PRINTED CIRCUIT BOARD ASH2L, SEM1, KDM1A HSD17B10 1491/4885CYP1A2 924/4885CYP2C9 1276/4885

“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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