SCHEMBL29657236

SCHEMBL29657236

COc1ccc(CC[C@@H](C)C(C)C)cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
TAAR1 Q96RJ0 1/20 0.53
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
MAPT P10636 3/20 0.51
MAPK1 P28482 2/20 0.51
KDM4E B2RXH2 1/20 0.51
POLB P06746 1/20 0.51
SLC6A4 P31645 1/20 0.50
AOC3 Q16853 1/20 0.49
CALM1 P0DP23 1/20 0.48
MAOB P27338 1/20 0.48
ALDH1A1 P00352 2/20 0.48
GAA P10253 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL28851988 1.00 HTT (0.59) HTTSMN1; SMN2TAAR1MEN1KMT2A
SCHEMBL21076158 0.85 HTT (0.56) HTTSMN1; SMN2TAAR1MEN1KMT2A
SCHEMBL1670365 0.85 HTT (0.56) HTTSMN1; SMN2TAAR1MEN1KMT2A
SCHEMBL879606 0.83 HTT (0.62) HTTSMN1; SMN2TAAR1MEN1KMT2A
SCHEMBL7604631 0.81 HTT (0.56) HTTSMN1; SMN2TAAR1MEN1KMT2A
SCHEMBL2238188 0.80 HTT (0.59) HTTSMN1; SMN2TAAR1MEN1KMT2A
SCHEMBL2942342 0.80 HTT (0.59) HTTSMN1; SMN2TAAR1MEN1KMT2A
SCHEMBL6555827 0.80 HTT (0.59) HTTSMN1; SMN2TAAR1MEN1KMT2A
SCHEMBL8975067 0.80 SLC6A4 (0.66) HTTSMN1; SMN2TAAR1MEN1KMT2A
SCHEMBL6557459 0.80 HTT (0.59) HTTSMN1; SMN2TAAR1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12221409-B2 Method for preparing chiral alkyl compounds by asymmetric hydrogenation of olefins catalyzed by iron complex ZHEJIANG UNIVERSITY (CN) 2025-02-11 US disclosed
US-20240174588-A1 METHOD FOR PREPARING CHIRAL ALKYL COMPOUNDS BY ASYMMETRIC HYDROGENATION OF OLEFINS CATALYZED BY IRON COMPLEX ZHEJIANG UNIVERSITY (CN) 2024-05-30 US disclosed
CN-112851479-B Method for preparing chiral alkyl compound by catalyzing asymmetric hydrogenation reaction of olefin with iron complex catalyst 浙江大学 2022-05-13 CN 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-20240174588-A1 METHOD FOR PREPARING CHIRAL ALKYL COMPOUNDS BY ASYMMETRIC HYDROGENATION OF OLEFINS CATALYZED BY IRON COMPLEX SFXN1, SFXN3, HMOX2 HTT 4258/4885SMN1; SMN2 3652/4885TAAR1 1874/4885
US-12221409-B2 Method for preparing chiral alkyl compounds by asymmetric hydrogenation of olefins catalyzed by iron complex SFXN1, SFXN3, HMOX2 HTT 4258/4885SMN1; SMN2 3652/4885TAAR1 1874/4885

“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.