SCHEMBL1891785

SCHEMBL1891785

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
SCHEMBL5572206 1.00 ALDH1A1 (0.53) ALDH1A1MAPTALOX15MEN1KMT2A
SCHEMBL22262018 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113473974-A Pharmaceutical composition 深圳市药欣生物科技有限公司 2021-10-01 CN claimed
US-20220193095-A9 PHARMACEUTICAL COMPOSITIONS Shenzhen Pharmacin Co., Ltd. (CN) 2022-06-23 US disclosed
CN-113473974-A Pharmaceutical composition 深圳市药欣生物科技有限公司 2021-10-01 CN disclosed
US-20200237784-A1 PHARMACEUTICAL COMPOSITIONS SHENZHEN PHARMACIN CO LTD (CN) 2020-07-30 US disclosed
US-20140200201-A1 Enzymatic Production or Chemical Synthesis and Uses for 5,7-Dienes and UVB Conversion Products Thereof NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2014-07-17 US disclosed
US-20120258938-A1 Enzymatic Production or Chemical Synthesis and Uses for 5,7-Dienes and UVB Conversion Products Thereof SLOMINSKI ANDREJ (US) 2012-10-11 US disclosed
US-20110118228-A1 Enzymatic production or chemical synthesis and uses for 5,7-dienes and UVB conversion products thereof SLOMINSKI ANDRZEJ 2011-05-19 US disclosed
EP-1789384-B1 EPIMERISATION OF ALLYLIC ALCOHOLS LEO PHARMA AS (DK) 2008-10-15 EP disclosed
US-20070255066-A1 Epimerisation of Allylic Alcohols LEO PHARMA A/S (DK) 2007-11-01 US disclosed
US-20070135395-A1 Novel method for the preparation of intermediates useful for the synthesis fo vitamin d analogues LEO PHARMA A/S (DK) 2007-06-14 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 (4 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-20070255066-A1 Epimerisation of Allylic Alcohols CYP24A1, CYP2R1, VDR ALDH1A1 88/4885MAPT 4615/4885ALOX15 176/4885
US-20220193095-A9 PHARMACEUTICAL COMPOSITIONS LIPA, LIPC, MGLL ALDH1A1 852/4885MAPT 2086/4885ALOX15 8/4885
US-20070135395-A1 Novel method for the preparation of intermediates useful for the synthesis fo vitamin d analogues CYP2R1, CYP24A1, CYP27B1 ALDH1A1 910/4885MAPT 4720/4885ALOX15 588/4885
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.