SCHEMBL16248317

SCHEMBL16248317

COc1cc(NC23CC4CC(CC(C4)C2)C3)cc(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.49
ALDH1A1 P00352 3/20 0.47
TSHR P16473 2/20 0.47
LMNA P02545 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CNR2 P34972 4/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
FAAH O00519 2/20 0.44
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SIGMAR1 Q99720 2/20 0.42
CREBBP Q92793 1/20 0.41
P2RX7 Q99572 1/20 0.40
P2RX2 Q9UBL9 1/20 0.39
PKM P14618 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL11640397 0.72 ALDH1A1 (0.44) ALDH1A1LMNAL3MBTL1CNR2MEN1
SCHEMBL30940183 0.72 EPHX2 (0.42) EPHX2ALDH1A1TSHRLMNAL3MBTL1
SCHEMBL6941160 0.70 P2RX7 (0.67) EPHX2KMT2APOLBP2RX7
SCHEMBL15009062 0.68 KDM1A (0.47) EPHX2ALDH1A1LMNACNR2MEN1
SCHEMBL138594 0.67 EPHX2 (0.56) EPHX2ALDH1A1TSHRFAAHHTT
Hydrochloric Acid SCHEMBL27845477 0.66 EPHX2 (0.54) EPHX2ALDH1A1TSHRMEN1KMT2A
SCHEMBL3361475 0.65 CNR2 (0.60) EPHX2ALDH1A1LMNACNR2MEN1
SCHEMBL12044178 0.64 TSHR (1.00) EPHX2ALDH1A1TSHRLMNAL3MBTL1
SCHEMBL11447009 0.64 POLB (0.53) EPHX2ALDH1A1TSHRLMNATP53
SCHEMBL7980459 0.64 EPHX2 (0.58) EPHX2ALDH1A1TSHRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8981086-B2 Phosphine-ligated palladium sulfonate palladacycles MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-03-17 US disclosed
US-20150045570-A1 PHOSPHINE-LIGATED PALLADIUM SULFONATE PALLADACYCLES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-02-12 US disclosed
US-8889857-B2 Phosphine-ligated palladium sulfonate palladacycles MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2014-11-18 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 (1 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-20150045570-A1 PHOSPHINE-LIGATED PALLADIUM SULFONATE PALLADACYCLES PHOSPHO1, PDCD1, PDCD1LG2 EPHX2 3521/4885ALDH1A1 2907/4885TSHR 3538/4885

“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.