SCHEMBL19973058

SCHEMBL19973058

C=CCC1(C(=O)OCC)CCCCC1=C(C#N)C#N

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
KCNA3 P22001 1/20 0.31
OPRM1 P35372 1/20 0.31
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
USP2 O75604 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
THRB P10828 1/20 0.30
HPGD P15428 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
MCOLN3 Q8TDD5 1/20 0.30

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
SCHEMBL25619136 0.79 CYP2C19 (0.36) ALDH1A1TSHRSMN1; SMN2MEN1KMT2A
SCHEMBL1137710 0.79 CYP2C19 (0.36) ALDH1A1TSHRSMN1; SMN2MEN1KMT2A
SCHEMBL7624802 0.78 CYP2C19 (0.35) ALDH1A1TSHRSMN1; SMN2MEN1KMT2A
SCHEMBL24091426 0.77 ALDH1A1 (0.37) ALDH1A1TSHRSMN1; SMN2MEN1KMT2A
SCHEMBL31622117 0.76 F10 (0.41) SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL5180173 0.75 CYP2C19 (0.39) ALDH1A1TSHRSMN1; SMN2MEN1KMT2A
SCHEMBL31695088 0.75 CYP2C19 (0.39) ALDH1A1TSHRSMN1; SMN2MEN1KMT2A
SCHEMBL19983756 0.72 PTP4A3 (0.31)
SCHEMBL24091772 0.72 ALDH1A1 (0.38) ALDH1A1TSHRSMN1; SMN2MEN1KMT2A
SCHEMBL21319095 0.72 ALDH1A1 (0.30) ALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240376041-A1 METHODS AND COMPOSITIONS FOR TERPENOID SYNTHESIS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2024-11-14 US disclosed
US-12098115-B2 Methods and compositions for terpenoid synthesis UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2024-09-24 US disclosed
US-11952327-B2 Methods and compositions for terpenoid synthesis UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2024-04-09 US disclosed
US-20240025843-A1 METHODS AND COMPOSITIONS FOR TERPENOID SYNTHESIS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2024-01-25 US disclosed
US-20190270700-A1 METHODS AND COMPOSITIONS FOR TERPENOID SYNTHESIS UNIV FLORIDA (US) 2019-09-05 US disclosed
WO-2018053322-A1 METHODS AND COMPOSITIONS FOR TERPENOID SYNTHESIS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2018-03-22 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 (5 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-11952327-B2 Methods and compositions for terpenoid synthesis SQLE, GGPS1, LSS ALDH1A1 1162/4885TSHR 4449/4885SMN1; SMN2 4685/4885
US-20240376041-A1 METHODS AND COMPOSITIONS FOR TERPENOID SYNTHESIS SQLE, GGPS1, LSS ALDH1A1 1162/4885TSHR 4449/4885SMN1; SMN2 4685/4885
US-20240025843-A1 METHODS AND COMPOSITIONS FOR TERPENOID SYNTHESIS SQLE, GGPS1, LSS ALDH1A1 1162/4885TSHR 4449/4885SMN1; SMN2 4685/4885
US-12098115-B2 Methods and compositions for terpenoid synthesis SQLE, GGPS1, LSS ALDH1A1 1162/4885TSHR 4449/4885SMN1; SMN2 4685/4885
US-20190270700-A1 METHODS AND COMPOSITIONS FOR TERPENOID SYNTHESIS SQLE, GGPS1, LSS ALDH1A1 1353/4885TSHR 4431/4885SMN1; SMN2 4694/4885

“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.