SCHEMBL21703526

SCHEMBL21703526

C=C1CC(=O)OC1c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
CA2 P00918 1/20 0.43
RAB9A P51151 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KDM4E B2RXH2 4/20 0.40
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GAA P10253 2/20 0.38
LMNA P02545 2/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP19A1 P11511 2/20 0.36
ADORA3 P0DMS8 1/20 0.36
AR P10275 1/20 0.36
MAOB P27338 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 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
SCHEMBL7962169 0.80 ALDH1A1 (0.46) ALDH1A1CA2RAB9ASLC6A3KDM4E
SCHEMBL9731911 0.74 ALDH1A1 (0.53) ALDH1A1CA2RAB9ASLC6A3KDM4E
SCHEMBL120709 0.71 MEN1 (0.48) ALDH1A1CA2KDM4EMAPTPOLB
SCHEMBL8207399 0.69 MEN1 (0.47) ALDH1A1CA2KDM4EMAPTPOLB
SCHEMBL7252825 0.69 ALDH1A1 (0.42) ALDH1A1CA2RAB9ASLC6A3KDM4E
SCHEMBL31650964 0.69 ALDH1A1 (0.56) ALDH1A1CA2RAB9ASLC6A3KDM4E
SCHEMBL29253910 0.69 KDM4E (0.45) ALDH1A1CA2RAB9ASLC6A3KDM4E
SCHEMBL9303316 0.69 ALDH1A1 (0.43) ALDH1A1CA2RAB9ASLC6A3KDM4E
SCHEMBL28452557 0.68 ALDH1A1 (0.54) ALDH1A1CA2RAB9ASLC6A3KDM4E
SCHEMBL983728 0.68 ALDH1A1 (0.54) ALDH1A1CA2RAB9ASLC6A3KDM4E

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 ALDH1A1 387/4885CA2 2445/4885RAB9A 4217/4885
US-20200048233-A1 CYCLIZATION PROCESSES OF HYDROXYALKENOIC AICDS AND PRODUCTS THEREOF FADS2, FASN, ACADM ALDH1A1 188/4885CA2 1758/4885RAB9A 4181/4885

“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.