SCHEMBL3961791

SCHEMBL3961791

CCC(C)(C)c1cc(O)cc(C(C)(C)CC)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.56
GABRB2 P47870 1/20 0.56
ESR1 P03372 8/20 0.39
ESR2 Q92731 7/20 0.39
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
CASP3 P42574 1/20 0.37
ATM Q13315 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
SHBG P04278 1/20 0.37
AR P10275 1/20 0.35
MAPT P10636 1/20 0.35
CNR1 P21554 4/20 0.35
CNR2 P34972 4/20 0.35
BACE1 P56817 1/20 0.33

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
SCHEMBL3436068 0.95 GABRA1 (0.50) GABRA1GABRB2ESR1ESR2NPC1
SCHEMBL780091 0.87 NPC1 (0.43) GABRA1GABRB2ESR1ESR2NPC1
SCHEMBL29560219 0.78 SHBG (0.61) GABRA1GABRB2ESR1ESR2LMNA
SCHEMBL6356832 0.78 ESR1 (0.41) ESR1ESR2NPC1RAB9ALMNA
SCHEMBL1538639 0.78 ESR1 (0.64) ESR1ESR2NPC1RAB9ALMNA
SCHEMBL825377 0.78 LMNA (0.44) ESR1ESR2NPC1RAB9ALMNA
SCHEMBL31215161 0.78 LMNA (0.44) ESR1ESR2NPC1RAB9ALMNA
SCHEMBL4363284 0.77 SMN1; SMN2 (0.38) ESR1ESR2NPC1RAB9ALMNA
SCHEMBL25454478 0.76 TTR (0.50) GABRA1GABRB2ESR1ESR2NPC1
SCHEMBL69216 0.76 GABRA1 (0.46) GABRA1GABRB2ESR1ESR2AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7514520-B2 Process for producing phosphonitrilic acid ester ASAHI KASEI CHEMICALS CORPORATION (JP) 2009-04-07 US disclosed
US-20080091050-A1 Process For Producing Phosphonitrilic Acid Ester ASAHI KASEI CHEMICAL CORPORATION (JP) 2008-04-17 US disclosed
US-20070060739-A1 Process for producing phosphonitrilic acid ester ASAHI KASEI CHEMICALS CORPORATION (JP) 2007-03-15 US disclosed
EP-1358214-A4 THERMOSETTING RESIN-FIBER COMPOSITE AND METHOD AND APPARATUS FOR THE MANUFACTURE THEREOF CAPPI GIUSEPPI (US) 2004-08-18 EP disclosed
WO-2002070599-A9 THERMOSETTING RESIN-FIBER COMPOSITE AND METHOD AND APPARATUS FOR THE MANUFACTURE THEREOF CAPPI GIUSEPPI (US) 2004-07-22 WO disclosed
US-20040115459-A1 Thermosetting resin-fiber composite and method and apparatus for the manufacture thereof CAPPI GIUSEPPI (US) 2004-06-17 US disclosed
EP-1358214-A2 THERMOSETTING RESIN-FIBER COMPOSITE AND METHOD AND APPARATUS FOR THE MANUFACTURE THEREOF Bakelite AG (DE) 2003-11-05 EP disclosed
WO-2002070599-A2 THERMOSETTING RESIN-FIBER COMPOSITE AND METHOD AND APPARATUS FOR THE MANUFACTURE THEREOF G.P. CONCEPTS LLC (US) 2002-09-12 WO disclosed
EP-0032062-B2 HIGH-MOLECULAR-WEIGHT NOVOLAK SUBSTITUTED PHENOLIC RESINS AND THEIR PREPARATION MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1991-10-16 EP disclosed
US-4892671-A FUEL AND OIL ADDITIVES CIBA-GEIGY CORPORATION (US) 1990-01-09 US disclosed
EP-0252007-A2 2-Propanol derivatives as corrosion inhibitors CIBA-GEIGY AG (CH) 1988-01-07 EP disclosed
EP-0032062-B1 HIGH-MOLECULAR-WEIGHT NOVOLAK SUBSTITUTED PHENOLIC RESINS AND THEIR PREPARATION MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1985-04-03 EP disclosed
EP-0032060-B1 NOVOLAK RESIN COMPOSITION AND PRODUCTS FORMED THEREFROM MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1984-10-24 EP disclosed
US-4345054-A High-molecular-weight novolak types substituted phenolic resins and process for preparation thereof MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1982-08-17 US disclosed
US-4342852-A Setting type resin composition containing a substantially linear, high-molecular-weight novolak substituted phenolic resin MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1982-08-03 US disclosed
EP-0032060-A2 Novolak resin composition and products formed therefrom MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1981-07-15 EP disclosed
EP-0032062-A2 High-molecular-weight novolak substituted phenolic resins and their preparation MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1981-07-15 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 (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-20080091050-A1 Process For Producing Phosphonitrilic Acid Ester PHOSPHO1, GNPAT, SELENOI GABRA1 2466/4885GABRB2 2320/4885ESR1 1669/4885

“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.