SCHEMBL10825720

SCHEMBL10825720

CCCCCc1c(O)ccc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.59
CYP1A2 P05177 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
KDM4E B2RXH2 8/20 0.56
ALDH1A1 P00352 7/20 0.56
GAA P10253 7/20 0.56
MAPT P10636 6/20 0.56
TAAR1 Q96RJ0 1/20 0.56
TDP1 Q9NUW8 3/20 0.56
HPGD P15428 2/20 0.51
GLA P06280 1/20 0.51
NCEH1 Q6PIU2 1/20 0.49
KMT2A Q03164 5/20 0.49
LMNA P02545 1/20 0.49
MEN1 O00255 1/20 0.48
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
USP2 O75604 1/20 0.46
PAK1 Q13153 1/20 0.46

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
SCHEMBL9493799 0.98 HSD17B10 (0.58) HSD17B10CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL11493047 0.98 HSD17B10 (0.58) HSD17B10CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL3981337 0.98 HSD17B10 (0.58) HSD17B10CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL6832911 0.98 HSD17B10 (0.58) HSD17B10CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL28099650 0.98 HSD17B10 (0.58) HSD17B10CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL6398933 0.98 HSD17B10 (0.58) HSD17B10CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL10624515 0.98 HSD17B10 (0.58) HSD17B10CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL6400208 0.95 HSD17B10 (0.61) HSD17B10CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL27281280 0.91 HSD17B10 (0.49) HSD17B10CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL8398635 0.89 HSD17B10 (0.68) HSD17B10CYP1A2CYP2C9CYP2C19KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170223964-A1 Combination of Novel Nitrification Inhibitors and Herbicides as Well as Combination of (Thio)Phosphoric Acid Triamides and Herbicides BASF SE (DE) 2017-08-10 US disclosed
US-20170181435-A1 Combination of Novel Nitrification Inhibitors and Biopesticides as Well as Combination of (Thio)Phosphoric Acid Triamides and Biopesticides BASF SE (DE) 2017-06-29 US disclosed
US-20170036969-A1 NITRIFICATION INHIBITORS BASF SE (DE) 2017-02-09 US disclosed
EP-0196805-A1 Acylation of naphthalenes CELANESE CORPORATION (US) 1986-10-08 EP disclosed
US-4593125-A In anhydrous hydrogen fluoride CELANESE CORPORATION (US) 1986-06-03 US disclosed
US-4323714-A Alkylation of hydroxy-substituted aromatic compounds UOP INC. (US) 1982-04-06 US disclosed
EP-0035678-A2 Process for the dyeing of carrier-free dyeable polyester fibres BASF Aktiengesellschaft (DE) 1981-09-16 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 (3 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-20170036969-A1 NITRIFICATION INHIBITORS NOS1, NOS2, NOS3 HSD17B10 851/4885CYP1A2 40/4885CYP2C9 267/4885
US-20170181435-A1 Combination of Novel Nitrification Inhibitors and Biopesticides as Well as Combination of (Thio)Phosphoric Acid Triamides and Biopesticides PRXL2A, NIT2, NAT1 HSD17B10 2561/4885CYP1A2 113/4885CYP2C9 1618/4885
US-20170223964-A1 Combination of Novel Nitrification Inhibitors and Herbicides as Well as Combination of (Thio)Phosphoric Acid Triamides and Herbicides NAT1, PRXL2A, DDAH1 HSD17B10 1648/4885CYP1A2 22/4885CYP2C9 709/4885

“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.