SCHEMBL21703529

SCHEMBL21703529

CC1(/C=C/c2ccccc2)CCC(=O)O1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.36
ALDH1A1 P00352 4/20 0.36
NPSR1 Q6W5P4 3/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
HDAC3 O15379 1/20 0.35
TNKS O95271 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35

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
SCHEMBL4466511 0.73 MAOB (0.41) LMNAALDH1A1NPSR1MEN1MAPT
SCHEMBL5795283 0.71 PTGS1 (0.50) LMNAMEN1MAPTKMT2ACYP1A2
SCHEMBL5795281 0.71 PTGS1 (0.50) LMNAMEN1MAPTKMT2ACYP1A2
SCHEMBL5795280 0.71 PTGS1 (0.50) LMNAMEN1MAPTKMT2ACYP1A2
SCHEMBL28330482 0.70 MEN1 (0.37) LMNAALDH1A1NPSR1MEN1MAPT
SCHEMBL21679741 0.69
SCHEMBL21679743 0.69
SCHEMBL27593238 0.69 MEN1 (0.44) LMNAALDH1A1NPSR1MEN1MAPT
SCHEMBL919332 0.67
SCHEMBL13566289 0.67

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-10844050-B2 Cyclization processes of hydroxyalkenoic acids and products thereof YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2020-11-24 US disclosed
US-20200048233-A1 CYCLIZATION PROCESSES OF HYDROXYALKENOIC AICDS AND PRODUCTS THEREOF Yissum Research Development Company, of The Hebrew University of Jerusalem Ltd. (IL) 2020-02-13 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-10844050-B2 Cyclization processes of hydroxyalkenoic acids and products thereof FASN, ALOX5, HACL2 LMNA 2804/4885ALDH1A1 387/4885NPSR1 1658/4885
US-20200048233-A1 CYCLIZATION PROCESSES OF HYDROXYALKENOIC AICDS AND PRODUCTS THEREOF FADS2, FASN, ACADM LMNA 3698/4885ALDH1A1 188/4885NPSR1 2659/4885

“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.