SCHEMBL7598259

SCHEMBL7598259

COC(=C1C2CC3CC(C2)CC1C3)c1cccc(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
FAAH O00519 1/20 0.51
CNR2 P34972 1/20 0.51
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
PARP1 P09874 1/20 0.44
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
EPHX2 P34913 1/20 0.43
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
GRM5 P41594 1/20 0.41
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL31236475 1.00 MEN1 (0.51) MEN1KMT2AFAAHCNR2CES2
SCHEMBL1041440 0.85 KMT2A (0.41) MEN1KMT2AFAAHCNR2CES2
SCHEMBL7599431 0.85 EPHX2 (0.48) MEN1KMT2AFAAHCNR2NPC1
SCHEMBL7598473 0.84 KDM4E (0.46) CNR2NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL9179949 0.84 KMT2A (0.43) MEN1KMT2AFAAHCNR2CES2
SCHEMBL8058782 0.84 FAAH (0.43) MEN1KMT2AFAAHCNR2NPC1
SCHEMBL734321 0.84 FAAH (0.43) MEN1KMT2AFAAHCNR2NPC1
SCHEMBL14184724 0.84 MEN1 (0.49) MEN1KMT2AFAAHCNR2CES2
SCHEMBL25519094 0.84 RAB9A (0.40) MEN1KMT2AFAAHNPC1RAB9A
SCHEMBL9616774 0.83 KMT2A (0.42) MEN1KMT2AFAAHCNR2CES2

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10031142-B2 In situ chemiluminescent substrates and assays Life Technologies Corporation (US) 2018-07-24 US disclosed
US-20070112061-A1 Heat- or singlet oxygen-generating agents and cancer treatment compositions comprising organic peroxide or chemiluminescent compound MANAC INC. (JP) 2007-05-17 US disclosed
US-20070112061-A1 Heat- or singlet oxygen-generating agents and cancer treatment compositions comprising organic peroxide or chemiluminescent compound MANAC INC. (JP) 2007-05-17 US disclosed
US-6417380-B1 POLYCYCLOALKYL KETONE CONTAINING FLUORESCENT CHROMOPHORE IS ALKYLATED TO POLYCYCLOALKYLIDENE ETHER IN PRESENCE OF ALKALI METAL ALKOXIDE IN POLAR APROTIC SOLVENT APPLIED BIOSYSTEMS, LLC 2002-07-09 US disclosed
US-6124478-A Methods of using 1,2-dioxetanes and kits therefore TROPIX, INC. (US) 2000-09-26 US disclosed
EP-0582317-B1 Synthesis of 1,2-dioxetanes and intermediates therefor TROPIX INC (US) 1999-08-25 EP disclosed
US-5856522-A Method of using synthesis of 1,2-dioxetanes and kits therefore TROPIX, INC. (US) 1999-01-05 US disclosed
US-5777133-A Synthesis of 1, 2-dioxetanes and intermediates therefor TROPIX, INC. (US) 1998-07-07 US disclosed
US-5763681-A ALPHA-2-ADAMANTYLIDENE-ALPHA-METHOXY-META-METHOXYTOLUENE AND RELATED COMPOUNDS AS INTERMEDIATES TROPIX, INC. (US) 1998-06-09 US disclosed
US-5679802-A 1,2-dioxetanes useful in chemiluminescent immunoassays TROPIX, INC. (US) 1997-10-21 US disclosed
US-5637747-A Synthesis of 1,2-dioxetanes and intermediates therefor TROPIX, INC. (US) 1997-06-10 US disclosed
EP-0368946-B1 1,2-DIOXETANES TROPIX INC (US) 1994-09-14 EP disclosed
EP-0582317-A2 Synthesis of 1,2-dioxetanes and intermediates therefor TROPIX, INC. (US) 1994-02-09 EP disclosed
US-5225584-A Phosphonate esters and trialkylsilyl phosphonate esters TROPIX, INC. (US) 1993-07-06 US disclosed
US-5177241-A SYNTHESIS OF 1,2-DIOXETANES AND INTERMEDIATES THEREFOR APPLIED BIOSYSTEMS, LLC 1993-01-05 US disclosed
WO-1991003479-A1 SYNTHESIS OF STABLE, WATER-SOLUBLE CHEMILUMINESCENT 1,2-DIOXETANES AND INTERMEDIATES THEREFOR TROPIX, INC. (US) 1991-03-21 WO disclosed
US-4956477-A Synthesis of 1,2-dioxetanes TROPIX, INC. (US) 1990-09-11 US disclosed
EP-0368946-A1 1,2-DIOXETANES. QUEST SYSTEMS INC (US) 1990-05-23 EP disclosed
EP-0368946-A4 1,2-DIOXETANES. QUEST SYSTEMS INC (US) 1990-05-14 EP disclosed
WO-1989006226-A1 SYNTHESIS OF 1,2-DIOXETANES AND INTERMEDIATES THEREFOR QUEST SYSTEMS, INC. (US) 1989-07-13 WO 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 (2 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-20070112061-A1 Heat- or singlet oxygen-generating agents and cancer treatment compositions comprising organic peroxide or chemiluminescent compound HSPE1, MCL1, HMOX1 MEN1 513/4885KMT2A 1888/4885FAAH 3387/4885
US-10031142-B2 In situ chemiluminescent substrates and assays DNASE1L3, DCLRE1B, RNASE1 MEN1 2991/4885KMT2A 4351/4885FAAH 2224/4885

“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.