SCHEMBL3946593

SCHEMBL3946593

CC1(C)Oc2cc([N+](=O)[O-])ccc2C2OC21

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.42
LMNA P02545 1/20 0.42
ACHE P22303 1/20 0.40
ALDH1A1 P00352 9/20 0.39
PGR P06401 1/20 0.39
HTT P42858 1/20 0.39
EPHX1 P07099 1/20 0.38
TDP1 Q9NUW8 3/20 0.38
TERT O14746 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALOX15 P16050 1/20 0.37
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CYP3A4 P08684 1/20 0.36
HSP90AA1 P07900 1/20 0.36

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
SCHEMBL12961911 1.00 TSHR (0.42) TSHRLMNAACHEALDH1A1PGR
SCHEMBL3948133 1.00 TSHR (0.42) TSHRLMNAACHEALDH1A1PGR
SCHEMBL3946596 1.00 TSHR (0.42) TSHRLMNAACHEALDH1A1PGR
SCHEMBL14765559 0.88 ABCC9 (0.39) TSHRLMNAACHEALDH1A1PGR
SCHEMBL3942504 0.88 ABCC9 (0.39) TSHRLMNAACHEALDH1A1PGR
SCHEMBL3942509 0.88 ABCC9 (0.39) TSHRLMNAACHEALDH1A1PGR
SCHEMBL13460693 0.88 ABCC9 (0.39) TSHRLMNAACHEALDH1A1PGR
SCHEMBL3947212 0.88 ABCC9 (0.39) TSHRLMNAACHEALDH1A1PGR
SCHEMBL7768140 0.88 ABCC9 (0.39) TSHRLMNAACHEALDH1A1PGR
SCHEMBL10347703 0.76 CYP1A2 (0.38) ALDH1A1MAPTCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394974-B2 Process for producing optically active chromene oxide compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-03-12 US disclosed
US-8394974-B2 Process for producing optically active chromene oxide compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-03-12 US disclosed
US-8394974-B2 Process for producing optically active chromene oxide compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-03-12 US disclosed
EP-2003135-A9 PROCESS FOR PRODUCING OPTICALLY ACTIVE CHROMENE OXIDE COMPOUND Nissan Chemical Industries, Ltd. (JP) 2009-04-22 EP disclosed
US-20090043100-A1 Process for Producing Optically Active Chromene Oxide Compound NISSAN CHEMICAL INDUSTRIES, LTD (JP) 2009-02-12 US disclosed
US-20090043100-A1 Process for Producing Optically Active Chromene Oxide Compound NISSAN CHEMICAL INDUSTRIES, LTD (JP) 2009-02-12 US disclosed
EP-2003135-A2 PROCESS FOR PRODUCING OPTICALLY ACTIVE CHROMENE OXIDE COMPOUND Nissan Chemical Industries, Ltd. (JP) 2008-12-17 EP disclosed
EP-0571822-B1 Diazabicycloalkene derivatives DAIICHI SEIYAKU CO (JP) 2001-08-16 EP disclosed
CN-1061346-C Diazabicycloalkene derivatives DAIICHI SEIYAKU CO (JP) 2001-01-31 CN disclosed
US-5418232-A Hypotensive, increases renal blood flow DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1995-05-23 US disclosed
CN-1082042-A Diazabicycloalkene derivatives DAIICHI SEIYAKU CO (JP) 1994-02-16 CN disclosed
EP-0571822-A1 Diazabicycloalkene derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1993-12-01 EP disclosed
EP-0076075-B1 PHARMACEUTICALLY ACTIVE BENZOPYRAN COMPOUNDS BEECHAM GROUP PLC (GB) 1986-11-20 EP disclosed
EP-0077122-B1 AMINO-SUBSTITUTED TETRALINS AND RELATED HOMOCYCLIC COMPOUNDS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-05-07 EP disclosed
US-4473586-A Aminoalkyl dihydronaphthalenes ABBOTT LABORATORIES (US) 1984-09-25 US disclosed
US-4464358-A OPIATE RECEPTOR ANTAGONISTS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-08-07 US disclosed
US-4446113-A HYPOTENSIVE AGENTS BEECHAM GROUP P.L.C. (GB) 1984-05-01 US disclosed
EP-0076075-A1 Pharmaceutically active benzopyran compounds BEECHAM GROUP PLC (GB) 1983-04-06 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-20090043100-A1 Process for Producing Optically Active Chromene Oxide Compound CYP2C19, CYP2C9, CYP1A2 TSHR 471/4885LMNA 2779/4885ACHE 181/4885

“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.