SCHEMBL6317871

SCHEMBL6317871

CCCCC(O)c1ccc2ccccc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
CYP2D6 P10635 3/20 0.57
CYP1A2 P05177 2/20 0.57
TSHR P16473 2/20 0.57
HIF1A Q16665 2/20 0.57
AOC3 Q16853 1/20 0.57
UGT2B7 P16662 1/20 0.56
HDAC1 Q13547 2/20 0.56
HDAC8 Q9BY41 1/20 0.56
MAPK1 P28482 2/20 0.49
CYP3A4 P08684 2/20 0.49
TP53 P04637 1/20 0.49
CYP2C9 P11712 1/20 0.49
NFKB1 P19838 1/20 0.49
CYP2C19 P33261 1/20 0.49
GMNN O75496 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
ALOX5 P09917 1/20 0.49

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
SCHEMBL31036064 1.00 MEN1 (0.57) MEN1KMT2ACYP2D6CYP1A2TSHR
SCHEMBL4912776 0.95 HDAC1 (0.58) MEN1KMT2ACYP2D6CYP1A2TSHR
SCHEMBL4915603 0.93 HDAC1 (0.61) MEN1KMT2ACYP2D6CYP1A2TSHR
SCHEMBL3323530 0.93 HDAC1 (0.61) MEN1KMT2ACYP2D6CYP1A2TSHR
SCHEMBL6055328 0.91 MEN1 (0.58) MEN1KMT2ACYP2D6CYP1A2TSHR
SCHEMBL26011893 0.85 HDAC1 (0.47) MEN1KMT2ACYP2D6CYP1A2TSHR
SCHEMBL9702598 0.84 PTPN1 (0.48) MEN1KMT2ACYP2D6CYP1A2TSHR
SCHEMBL19003721 0.84 UGT2B7 (0.48) MEN1KMT2ACYP2D6CYP1A2TSHR
SCHEMBL9043925 0.84 HDAC1 (0.57) MEN1KMT2ACYP2D6CYP1A2TSHR
SCHEMBL10120474 0.83 UGT2B7 (0.62) MEN1KMT2ACYP2D6CYP1A2TSHR

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-20230271988-A1 METHOD FOR PRODUCING ORGANOMETALLIC NUCLEOPHILE AND REACTION METHOD USING ORGANOMETALLIC NUCLEOPHILE NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2023-08-31 US disclosed
US-6887820-B1 For producing optically active secondary alcohols, producing optically active compounds useful for various utilities such as intermediates for synthesizing pharmaceutical agents, liquid crystal materials and agents for optical resolution JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) 2005-05-03 US disclosed
US-6184381-B1 USEFUL AS INTERMEDIATES FOR SYNTHESIZING PHARMACEUTICAL CHEMICALS, LIQUID CRYSTAL MATERIALS AND AGENTS FOR OPTICAL RESOLUTION, REDUCTION, KETONES TO ALCOHOL, IMINES TO AMINES JAPAN SCIENCE & TECHNOLOGY CORP. (JP) 2001-02-06 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 (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-20230271988-A1 METHOD FOR PRODUCING ORGANOMETALLIC NUCLEOPHILE AND REACTION METHOD USING ORGANOMETALLIC NUCLEOPHILE HPD, TALDO1, OGG1 MEN1 1296/4885KMT2A 1249/4885CYP2D6 315/4885

“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.