SCHEMBL22262018

SCHEMBL22262018

C[C@@]12CCC[C@H]1C1=CC=C3C[C@H](O)CC[C@]3(C)[C@H]1CC2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
MAPT P10636 1/20 0.53
ALOX15 P16050 1/20 0.53
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
NR1H3 Q13133 7/20 0.48
NR1H2 P55055 3/20 0.48
CYP17A1 P05093 4/20 0.33
TBXAS1 P24557 1/20 0.33
SRD5A2 P31213 1/20 0.33
SHBG P04278 4/20 0.33
SERPINA6 P08185 2/20 0.33
ESR1 P03372 1/20 0.33
AR P10275 1/20 0.33
ESR2 Q92731 1/20 0.33
LMNA P02545 1/20 0.33
GUSB P08236 1/20 0.33
CYP3A4 P08684 1/20 0.33
G6PD P11413 1/20 0.33
PMP22 Q01453 1/20 0.33

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
SCHEMBL1892098 1.00 ALDH1A1 (0.53) ALDH1A1MAPTALOX15MEN1KMT2A
SCHEMBL1891785 1.00 ALDH1A1 (0.53) ALDH1A1MAPTALOX15MEN1KMT2A
SCHEMBL5572206 1.00 ALDH1A1 (0.53) ALDH1A1MAPTALOX15MEN1KMT2A
SCHEMBL1894115 0.80 ALDH1A1 (0.43) ALDH1A1MAPTALOX15MEN1KMT2A
SCHEMBL1890530 0.80 ALDH1A1 (0.43) ALDH1A1MAPTALOX15MEN1KMT2A
SCHEMBL1892388 0.80 ALDH1A1 (0.43) ALDH1A1MAPTALOX15MEN1KMT2A
SCHEMBL11063624 0.80 ALDH1A1 (0.36) ALDH1A1MAPTALOX15MEN1KMT2A
SCHEMBL1899126 0.80 ALDH1A1 (0.43) ALDH1A1MAPTALOX15MEN1KMT2A
SCHEMBL4282246 0.80 ALDH1A1 (0.34) ALDH1A1MAPTALOX15MEN1KMT2A
SCHEMBL1891855 0.80 ALDH1A1 (0.34) ALDH1A1MAPTALOX15MEN1KMT2A

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-20220193095-A9 PHARMACEUTICAL COMPOSITIONS Shenzhen Pharmacin Co., Ltd. (CN) 2022-06-23 US disclosed
US-20200237784-A1 PHARMACEUTICAL COMPOSITIONS SHENZHEN PHARMACIN CO LTD (CN) 2020-07-30 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-20220193095-A9 PHARMACEUTICAL COMPOSITIONS LIPA, LIPC, MGLL ALDH1A1 852/4885MAPT 2086/4885ALOX15 8/4885
US-20200237784-A1 PHARMACEUTICAL COMPOSITIONS LIPA, LIPC, MGLL ALDH1A1 852/4885MAPT 2086/4885ALOX15 8/4885

“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.