SCHEMBL4863290

SCHEMBL4863290

C=CC(=O)OCCC12CC3CC(CC(CCOCSc4ccccc4)(C3)C1)C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.38
KMT2A Q03164 7/20 0.33
MEN1 O00255 6/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
NTSR1 P30989 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
ALDH1A1 P00352 7/20 0.32
CYP2D6 P10635 1/20 0.32
P2RX7 Q99572 4/20 0.32
TP53 P04637 2/20 0.31
TSHR P16473 2/20 0.31
HIF1A Q16665 2/20 0.31
HSD17B10 Q99714 1/20 0.31
HSD11B1 P28845 1/20 0.31
MAPT P10636 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL4863558 0.86 THRB (0.37) THRBKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL4865929 0.85 THRB (0.34) THRBKMT2AMEN1ALDH1A1P2RX7
SCHEMBL4865423 0.82 MEN1 (0.39) THRBKMT2AMEN1LMNAALDH1A1
SCHEMBL16893729 0.78 THRB (0.56) THRBKMT2AMEN1MAPK1SMN1; SMN2
SCHEMBL4858002 0.76 TSHR (0.46) THRBKMT2AMEN1MAPK1SMN1; SMN2
SCHEMBL4864920 0.75 THRB (0.33) THRBKMT2AMEN1ALDH1A1P2RX7
SCHEMBL4858011 0.75 ALDH1A1 (0.40) THRBKMT2AMEN1ALDH1A1TP53
SCHEMBL4862799 0.74 MEN1 (0.39) THRBKMT2AMEN1LMNAALDH1A1
SCHEMBL10054238 0.72 MEN1 (0.54) THRBKMT2AMEN1LMNAHTT
SCHEMBL4866033 0.72 DPP8 (0.35)

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-7456311-B2 Adamantane derivative, process for producing the same, and photosensitive material for photoresist IDEMITSU KOSAN CO., LTD. (JP) 2008-11-25 US disclosed
US-20080009647-A1 Adamantane Derivative, Process for Producing the Same, and Photosensitive Material for Photoresist IDEMITSU KOSAN CO., LTD. (JP) 2008-01-10 US disclosed
EP-1803708-A1 ADAMANTANE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND PHOTOSENSITIVE MATERIAL FOR PHOTORESIST IDEMITSU KOSAN CO., LTD. (JP) 2007-07-04 EP 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-20080009647-A1 Adamantane Derivative, Process for Producing the Same, and Photosensitive Material for Photoresist LSS, C1S, DHPS THRB 4663/4885KMT2A 2612/4885MEN1 1643/4885

“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.