SCHEMBL896557

SCHEMBL896557

CCC(=O)C(C)OC(=O)C(C)C1CCCC1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
EPHX2 P34913 4/20 0.34
TSHR P16473 3/20 0.34
NPSR1 Q6W5P4 2/20 0.33
EPHX1 P07099 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
TP53 P04637 1/20 0.32
SHBG P04278 1/20 0.31
THRB P10828 1/20 0.31
ATM Q13315 1/20 0.31
KDM4E B2RXH2 1/20 0.31
CASP6 P55212 1/20 0.31

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
SCHEMBL28897816 0.81 TP53 (0.47) ALDH1A1EPHX2TSHRNPSR1EPHX1
SCHEMBL28842009 0.79 TSHR (0.39) ALDH1A1EPHX2TSHRNPSR1EPHX1
SCHEMBL26870367 0.79 SHBG (0.39) ALDH1A1EPHX2EPHX1SHBGKDM4E
SCHEMBL31547019 0.79 SHBG (0.39) ALDH1A1EPHX2EPHX1SHBGKDM4E
SCHEMBL1986462 0.77 EPHX1 (0.40) ALDH1A1EPHX2TSHRNPSR1EPHX1
SCHEMBL11843181 0.77 EPHX1 (0.38) ALDH1A1EPHX2NPSR1EPHX1TP53
SCHEMBL11843198 0.77 EPHX1 (0.35) ALDH1A1EPHX2TSHRNPSR1EPHX1
SCHEMBL2648204 0.76 ALDH1A1 (0.46) ALDH1A1TSHRNPSR1L3MBTL1THRB
SCHEMBL31547036 0.76 ALDH1A1 (0.46) ALDH1A1TSHRNPSR1L3MBTL1THRB
SCHEMBL10557463 0.75 EPHX1 (0.41) ALDH1A1EPHX2TSHRNPSR1EPHX1

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
EP-4291157-B1 FRAGRANCE DELIVERY COMPOSITIONS TAMINCO BV (BE) 2025-03-19 EP disclosed
US-20240148630-A1 FRAGRANCE DELIVERY COMPOSITIONS TAMINCO BV (BE) 2024-05-09 US disclosed
EP-4291157-A1 FRAGRANCE DELIVERY COMPOSITIONS Taminco BV (BE) 2023-12-20 EP disclosed
WO-2022171707-A1 FRAGRANCE DELIVERY COMPOSITIONS TAMINCO BV (BE) 2022-08-18 WO disclosed
CN-113575344-A Anti-season seedling transplanting method by using growth regulator to pick leaves 北京市园林绿化集团有限公司 2021-11-02 CN disclosed
US-20120083529-A1 USE OF JASMONATE ESTER DERIVATIVES FOR TREATING BENIGN HYPERPROLIFERATIVE SKIN DISORDERS SEPAL PHARMA LTD (IL) 2012-04-05 US disclosed
WO-2010143180-A1 USE OF JASMONATE ESTER DERIVATIVES FOR TREATING BENIGN HYPERPROLIFERATIVE SKIN DISORDERS SEPAL PHARMA LTD. (IL) 2010-12-16 WO disclosed
EP-2037903-A1 COMBINATION METHODS OF TREATING CANCER Ramot at Tel-Aviv University Ltd. (IL) 2009-03-25 EP disclosed
WO-2009019693-A2 ANALGESIC EFFECT OF JASMONATE DERIVATIVES SEPAL PHARMA SA (FR) 2009-02-12 WO disclosed
WO-2008007367-A1 COMBINATION METHODS OF TREATING CANCER RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2008-01-17 WO 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-20120083529-A1 USE OF JASMONATE ESTER DERIVATIVES FOR TREATING BENIGN HYPERPROLIFERATIVE SKIN DISORDERS MYC, KRT18, DGKK ALDH1A1 2744/4885EPHX2 1095/4885TSHR 4800/4885
US-20240148630-A1 FRAGRANCE DELIVERY COMPOSITIONS F12, P4HA1, INO80C ALDH1A1 722/4885EPHX2 3569/4885TSHR 3813/4885

“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.