SCHEMBL939907

SCHEMBL939907

Clc1ccc([CH]Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.44
LMNA P02545 1/20 0.40
CYP2A6 P11509 1/20 0.40
MAOB P27338 4/20 0.39
MAOA P21397 2/20 0.39
AHR P35869 2/20 0.39
PTGS2 P35354 1/20 0.37
NFE2L2 Q16236 1/20 0.37
CYP1A2 P05177 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PIM1 P11309 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
PPARG P37231 1/20 0.35

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
SCHEMBL939956 0.89 RELA (0.44) HSD17B10LMNACYP2A6MAOBMAOA
SCHEMBL8695868 0.89 PPARG (0.47) CYP1A2PPARG
SCHEMBL9653611 0.89 TSHR (0.42) HSD17B10MAOBNFE2L2CYP1A2MEN1
SCHEMBL3759283 0.72 HSD17B10 (0.46) HSD17B10LMNACYP2A6MAOBMAOA
SCHEMBL194685 0.72 LMNA (0.42) HSD17B10LMNACYP2A6MAOBMAOA
SCHEMBL96633 0.72 HSD17B10 (0.46) HSD17B10LMNACYP2A6MAOBMAOA
SCHEMBL535420 0.72 LMNA (0.42) HSD17B10LMNACYP2A6MAOBMAOA
SCHEMBL7923050 0.69 HSD17B10 (0.34) HSD17B10MAOBAHRPIM1PIM2
SCHEMBL536918 0.69 TSHR (0.43) LMNACYP2A6MAOBMAOANFE2L2
SCHEMBL9065756 0.68 LMNA (0.38) HSD17B10LMNACYP2A6MAOBMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110178079-A1 GUANIDINE COMPOUNDS AS ANESTHETICS AND FOR TREATMENT OF NERVOUS SYSTEM DISORDERS TAKTIX CORPORATION 2011-07-21 US disclosed
US-20110166181-A1 GUANIDINE COMPOUNDS AS ANESTHETICS AND FOR TREATMENT OF NERVOUS SYSTEM DISORDERS TAKTIX CORPORATION 2011-07-07 US disclosed
US-7868028-B2 Guanidine compounds as anesthetics and for treatment of nervous system disorders Drasner, Fred (US) 2011-01-11 US disclosed
US-20050228022-A1 blocking voltage-sensitive sodium channels of neurons in a mammal comprising administering 1-benzyl-2-imino-3-(2-hydroxy-3-phenoxypropyl)benzimidazole; analgesics; neuroprotectants; anticonvulsants TAKTIX CORPORATION (US) 2005-10-13 US disclosed
US-4501746-A HERBICIDES; PLANT GROWTH REGULATORS ELI LILLY AND COMPANY (US) 1985-02-26 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 (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-20110166181-A1 GUANIDINE COMPOUNDS AS ANESTHETICS AND FOR TREATMENT OF NERVOUS SYSTEM DISORDERS CACNA1E, GRIA4, GRIA3 HSD17B10 2978/4885LMNA 1775/4885CYP2A6 3097/4885
US-20050228022-A1 blocking voltage-sensitive sodium channels of neurons in a mammal comprising administering 1-benzyl-2-imino-3-(2-hydroxy-3-phenoxypropyl)benzimidazole; analgesics; neuroprotectants; anticonvulsants CACNA1E, CACNA1B, SCN1A HSD17B10 3459/4885LMNA 610/4885CYP2A6 3104/4885
US-20110178079-A1 GUANIDINE COMPOUNDS AS ANESTHETICS AND FOR TREATMENT OF NERVOUS SYSTEM DISORDERS CACNA1E, GRIA4, GRIA3 HSD17B10 2895/4885LMNA 1893/4885CYP2A6 3044/4885

“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.