SCHEMBL3422940

SCHEMBL3422940

C=C1CC2C3C=CC(C3)C12

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
RECQL P46063 1/20 0.31

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
SCHEMBL4339639 0.77 ALDH1A1 (0.33) ALDH1A1TDP1
SCHEMBL12952456 0.71 ALDH1A1 (0.45) ALDH1A1TDP1MEN1RAB9AKMT2A
SCHEMBL12216989 0.71 ALDH1A1 (0.45) ALDH1A1TDP1MEN1RAB9AKMT2A
SCHEMBL7037424 0.70 ALDH1A1 (0.39) ALDH1A1TDP1MEN1RAB9AKMT2A
SCHEMBL4110653 0.68 ALDH1A1 (0.33) ALDH1A1TDP1
SCHEMBL4100352 0.68 ALDH1A1 (0.33) ALDH1A1TDP1LMNAHTTSMN1; SMN2
SCHEMBL4172895 0.68 ALDH1A1 (0.33) ALDH1A1TDP1LMNAHTTSMN1; SMN2
SCHEMBL11881351 0.67 HSD17B10 (0.39) ALDH1A1TDP1
SCHEMBL11584661 0.66 ALDH1A1 (0.39) ALDH1A1TDP1MEN1RAB9AKMT2A
SCHEMBL12649671 0.65 ALDH1A1 (0.43) ALDH1A1TDP1MEN1RAB9AKMT2A

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-8530688-B2 Method for preparing exo-tricyclo[4.2.1.02,5]non-7-ene-3-spiro-1′-(3′-ethyl-3′-alumina)cyclopentane Uchrezhdenie Rossiiskoi Akademii Nauk Institut Neftekhimii I Kataliza Ran (RU) 2013-09-10 US claimed
US-20120184761-A1 METHOD FOR PREPARING EXO-TRICYCLO[4.2.1.02.5]NON-7-ENE-3-SPIRO-1'-(3'- ETHYL- 3'-ALUMINA)CYCLOPENTANE Uchrezhdenie Rossiiskoi Akademii Nauk Institut Neftekhimii I Kataliza Ran (RU) 2012-07-19 US claimed
US-8530688-B2 Method for preparing exo-tricyclo[4.2.1.02,5]non-7-ene-3-spiro-1′-(3′-ethyl-3′-alumina)cyclopentane Uchrezhdenie Rossiiskoi Akademii Nauk Institut Neftekhimii I Kataliza Ran (RU) 2013-09-10 US disclosed
US-8530688-B2 Method for preparing exo-tricyclo[4.2.1.02,5]non-7-ene-3-spiro-1′-(3′-ethyl-3′-alumina)cyclopentane Uchrezhdenie Rossiiskoi Akademii Nauk Institut Neftekhimii I Kataliza Ran (RU) 2013-09-10 US disclosed
US-20120184761-A1 METHOD FOR PREPARING EXO-TRICYCLO[4.2.1.02.5]NON-7-ENE-3-SPIRO-1'-(3'- ETHYL- 3'-ALUMINA)CYCLOPENTANE Uchrezhdenie Rossiiskoi Akademii Nauk Institut Neftekhimii I Kataliza Ran (RU) 2012-07-19 US disclosed
US-20120184761-A1 METHOD FOR PREPARING EXO-TRICYCLO[4.2.1.02.5]NON-7-ENE-3-SPIRO-1'-(3'- ETHYL- 3'-ALUMINA)CYCLOPENTANE Uchrezhdenie Rossiiskoi Akademii Nauk Institut Neftekhimii I Kataliza Ran (RU) 2012-07-19 US disclosed
WO-2010134849-A1 METHOD FOR PREPARING EXO-TRICYCLO[4.2.1.02.5]NON-7-ENE-3-SPIRO-1'-(3'- ETHYL-3'-ALUMINA)CYCLOPENTANE УЧРЕЖДЕНИЕ РОССИЙСКОЙ АКАДЕМИИ НАУК ИНСТИТУТ НЕФТЕХИМИИ И КАТАЛИЗА РАН (RU) 2010-11-25 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 (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-20120184761-A1 METHOD FOR PREPARING EXO-TRICYCLO[4.2.1.02.5]NON-7-ENE-3-SPIRO-1'-(3'- ETHYL- 3'-ALUMINA)CYCLOPENTANE EXOC1, EXOC4, EXOC3 ALDH1A1 2993/4885TDP1 1317/4885MEN1 1950/4885

“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.