SCHEMBL4576404

SCHEMBL4576404

CC[C@@H](O)c1ccc(C)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.62
ALDH1A1 P00352 3/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
PGR P06401 2/20 0.42
CHRNA7 P36544 1/20 0.41
TDP1 Q9NUW8 3/20 0.40
ACHE P22303 3/20 0.40
CYP2C9 P11712 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C19 P33261 2/20 0.39
ESR1 P03372 1/20 0.39
CHRM2 P08172 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
AR P10275 1/20 0.39
CHRM1 P11229 1/20 0.39
ALOX15 P16050 1/20 0.39
DRD1 P21728 1/20 0.39

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
SCHEMBL3921442 1.00 LMNA (0.62) LMNAALDH1A1MAPTSMN1; SMN2PGR
SCHEMBL874873 1.00 LMNA (0.62) LMNAALDH1A1MAPTSMN1; SMN2PGR
SCHEMBL9498632 0.93 LMNA (0.56) LMNAALDH1A1MAPTSMN1; SMN2PGR
SCHEMBL1607138 0.89 LMNA (0.75) LMNAALDH1A1MAPTSMN1; SMN2PGR
SCHEMBL8186503 0.83 ALDH1A1 (0.47) LMNAALDH1A1MAPTSMN1; SMN2CHRNA7
SCHEMBL29861210 0.82 LMNA (0.65) LMNAALDH1A1MAPTSMN1; SMN2PGR
SCHEMBL540784 0.81 ALDH1A1 (0.42) LMNAALDH1A1MAPTSMN1; SMN2CHRNA7
SCHEMBL13965237 0.81 LMNA (0.42) LMNAALDH1A1MAPTSMN1; SMN2PGR
SCHEMBL6134241 0.80 TSHR (0.46) LMNAALDH1A1MAPTSMN1; SMN2CHRNA7
SCHEMBL12610437 0.80 ESR1 (0.62) LMNAALDH1A1MAPTSMN1; SMN2PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080227978-A1 Converting a carbonyl group within a substrate to a chiral alcohol moiety by reacting the carbonyl containing substrate with an organoaluminium reagent in the presence of a Group 5-12 transition metal based catalyst which is complexed with a chiral ligand; excellent yields THE UNIVERSITY OF NOTTINGHAM 2008-09-18 US disclosed
US-20080200672-A1 Highly enantioselective carbonyl reduction with borane catalyzed by chiral spiroborate esters derived from chiral beta-aminoalcohols NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-08-21 US 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-20080200672-A1 Highly enantioselective carbonyl reduction with borane catalyzed by chiral spiroborate esters derived from chiral beta-aminoalcohols ADH1A, ALDH7A1, HSD11B1 LMNA 3496/4885ALDH1A1 16/4885MAPT 4329/4885
US-20080227978-A1 Converting a carbonyl group within a substrate to a chiral alcohol moiety by reacting the carbonyl containing substrate with an organoaluminium reagent in the presence of a Group 5-12 transition metal based catalyst which is complexed with a chiral ligand; excellent yields ADH5, ADH1C, CYP2E1 LMNA 3021/4885ALDH1A1 24/4885MAPT 782/4885

“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.