SCHEMBL17750751

SCHEMBL17750751

CCCC[C@H](C)P(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
CNR2 P34972 1/20 0.37
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PCSK9 Q8NBP7 1/20 0.33
DNM1 Q05193 1/20 0.33
CSNK1E P49674 1/20 0.33
LTA4H P09960 1/20 0.33
CTSK P43235 2/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSH P09668 1/20 0.33
MME P08473 1/20 0.33
MMP1 P03956 3/20 0.33
MMP7 P09237 2/20 0.33

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
SCHEMBL6568659 1.00 POLB (0.39) POLBCNR2ALDH1A1KDM4EMEN1
SCHEMBL16199147 1.00 POLB (0.39) POLBCNR2ALDH1A1KDM4EMEN1
Hydrochloric Acid SCHEMBL19809583 0.98 POLB (0.38) POLBCNR2ALDH1A1KDM4EMEN1
SCHEMBL6570732 0.94 CSNK1E (0.39) POLBCNR2ALDH1A1MEN1KMT2A
SCHEMBL14434711 0.94 CSNK1E (0.39) POLBCNR2ALDH1A1MEN1KMT2A
SCHEMBL6570834 0.92 CSNK1E (0.41) CNR2ALDH1A1MEN1KMT2AMAPK1
SCHEMBL19009994 0.88 SMN1; SMN2 (0.38) POLBSMN1; SMN2
SCHEMBL6569762 0.88 SMN1; SMN2 (0.38) POLBSMN1; SMN2
SCHEMBL9308091 0.87 CYP3A4 (0.41)
SCHEMBL9309105 0.87 CYP3A4 (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11667638-B2 4-substitued cytisine analogues THE UNIVERSITY OF BRISTOL 2023-06-06 US disclosed
EP-3596038-B1 METAL-CATALYZED ALKOXYCARBONYLATION OF A LACTONE QATAR FOUND EDUCATION SCIENCE & COMMUNITY DEV (US) 2022-12-28 EP disclosed
US-20200172544-A1 COMPOUNDS THE UNIVERSITY OF BRISTOL (GB) 2020-06-04 US disclosed
WO-2018104176-A1 AMINE DERIVATIVES OF THE BETA-FARNESENE CLARIANT INTERNATIONAL LTD (CH) 2018-06-14 WO disclosed
US-9340485-B2 Process for preparing esters from formates and olefinically unsaturated compounds EVONIK INDUSTRIES AG (DE) 2016-05-17 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-11667638-B2 4-substitued cytisine analogues CES2, CDA, PCYT1A POLB 699/4885CNR2 26/4885ALDH1A1 1941/4885
US-20200172544-A1 COMPOUNDS CES2, CYCS, CHKB POLB 777/4885CNR2 10/4885ALDH1A1 1652/4885

“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.