SCHEMBL12475282

SCHEMBL12475282

C1CC2CCC3CCCCC3CC(C1)C2

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
EPHX1 P07099 1/20 0.33
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL25269194 0.89 ALDH1A1 (0.53) ALDH1A1
SCHEMBL25263228 0.86 ALDH1A1 (0.47) ALDH1A1EPHX1
SCHEMBL1155466 0.83 CYP2C9 (0.40) ALDH1A1EPHX1NPC1KMT2ALMNA
SCHEMBL3227368 0.83 ALDH1A1 (0.31) ALDH1A1
SCHEMBL21945463 0.81 EPHX1 (0.31) ALDH1A1EPHX1
SCHEMBL18239998 0.80 ALDH1A1 (0.33) ALDH1A1
SCHEMBL311112 0.76 ALDH1A1 (0.61) ALDH1A1MEN1KMT2ALMNA
SCHEMBL6263692 0.76 ALDH1A1 (0.61) ALDH1A1MEN1KMT2ALMNA
SCHEMBL22129579 0.76 ALDH1A1 (0.36) ALDH1A1MEN1KMT2A
SCHEMBL22129606 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9273342-B2 Methods and systems for evaluating and predicting the reactivity of monooxygenase enzymes UNIVERSITY OF ROCHESTER (US) 2016-03-01 US claimed
US-20140038850-A1 METHODS AND SYSTEMS FOR EVALUATING AND PREDICTING THE REACTIVITY OF MONOOXYGENASE ENZYMES UNIVERSITY OF ROCHESTER (US) 2014-02-06 US claimed
WO-2012109586-A2 METHODS AND SYSTEMS FOR EVALUATING AND PREDICTING THE REACTIVITY OF MONOOXYGENASE ENZYMES UNIVERSITY OF ROCHESTER (US) 2012-08-16 WO claimed
EP-4694886-A1 MICROTUBULE TARGETING AGENTS BPGbio, Inc. (US) 2026-02-18 EP disclosed
US-20240342138-A1 MICROTUBULE TARGETING AGENTS THLIVERIS, ANDREW T. 2024-10-17 US disclosed
WO-2024216283-A1 MICROTUBULE TARGETING AGENTS BPGBIO, INC. (US) 2024-10-17 WO disclosed
US-9273342-B2 Methods and systems for evaluating and predicting the reactivity of monooxygenase enzymes UNIVERSITY OF ROCHESTER (US) 2016-03-01 US disclosed
US-20140038850-A1 METHODS AND SYSTEMS FOR EVALUATING AND PREDICTING THE REACTIVITY OF MONOOXYGENASE ENZYMES UNIVERSITY OF ROCHESTER (US) 2014-02-06 US disclosed
WO-2012109586-A2 METHODS AND SYSTEMS FOR EVALUATING AND PREDICTING THE REACTIVITY OF MONOOXYGENASE ENZYMES UNIVERSITY OF ROCHESTER (US) 2012-08-16 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-20240342138-A1 MICROTUBULE TARGETING AGENTS MAP2, TUBB3, TUBB1 ALDH1A1 3381/4885EPHX1 4565/4885MEN1 3951/4885

“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.