SCHEMBL5419014

SCHEMBL5419014

C=CC(C)(C)CCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.41
ALDH1A1 P00352 3/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
CASP1 P29466 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TAAR1 Q96RJ0 4/20 0.39
ATM Q13315 1/20 0.39
SLC6A2 P23975 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
CYP2A6 P11509 1/20 0.38
HTR2A P28223 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
LMNA P02545 1/20 0.36
CYP2D6 P10635 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
SCHEMBL7393668 0.88 L3MBTL1 (0.41) AOC3SLC6A2HTR2APOLB
SCHEMBL30626020 0.82 ALDH1A1 (0.38) AOC3ALDH1A1HPGDALOX15ALOX12
SCHEMBL5410448 0.80 GFER (0.48) ALDH1A1TAAR1CYP3A4TDP1CYP2A6
SCHEMBL20610515 0.80 GPR52 (0.41) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL1195484 0.80 GPR52 (0.41) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL27870822 0.79 MEN1 (0.42) AOC3ALDH1A1HPGDALOX15ALOX12
SCHEMBL1072575 0.78 SLC6A2 (0.52) ALDH1A1TAAR1ATMSLC6A2CYP3A4
SCHEMBL11224549 0.78 TDP1 (0.50) AOC3ALDH1A1HPGDALOX15ALOX12
SCHEMBL20557193 0.76 ALDH1A1 (0.44) ALDH1A1CYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL5729581 0.76 CYP2A6 (0.46) ALDH1A1HSD17B10CYP2A6SMN1; SMN2LOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7250523-B2 Imido-tethered carbenes of molybdenum for ring-opening metathesis polymerization and ring-closing metathesis BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2007-07-31 US disclosed
US-7250523-B2 Imido-tethered carbenes of molybdenum for ring-opening metathesis polymerization and ring-closing metathesis BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2007-07-31 US disclosed
WO-2005086622-A2 IMIDO-TETHERED CARBENES OF MOLYBDENUM FOR RING-OPENING METATHESIS POLYMERISATION AND RING-CLOSING METATHESIS MICHIGAN STATE UNIVERSITY (US) 2005-09-22 WO disclosed
US-20050101475-A1 Imido-tethered carbenes of molybdenum for ring-opening metathesis polymerization and ring-closing metathesis BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2005-05-12 US disclosed
US-5964919-A STABILIZING THE ACTIVE ZINC BY SUSPENDING IN A CONTAINER WITH AN SOLVENT SELECT FROM ETHER, HYDROCARBON, AROMATIC HYDROCARABON OR APROTIC SOLVENT UNDER INERT GAS, SEALING THE CONTAINER BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 1999-10-12 US disclosed
US-5756653-A REACTING A REDUCING AGENT ON A ZINC SALT BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 1998-05-26 US disclosed
US-5358546-A Reacting a zinc compound with a reducting agent BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 1994-10-25 US disclosed
WO-1993015086-A1 HIGHLY REACTIVE FORMS OF ZINC AND REAGENTS THEREOF BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 1993-08-05 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-20050101475-A1 Imido-tethered carbenes of molybdenum for ring-opening metathesis polymerization and ring-closing metathesis NOXO1, PPOX, CBR1 AOC3 57/4885ALDH1A1 4187/4885HPGD 837/4885

“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.