SCHEMBL4864920

SCHEMBL4864920

C=CC(=O)OCC12CC3CC(C1)CC(CSCSc1ccccc1)(C3)C2

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.33
P2RX7 Q99572 4/20 0.32
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 1/20 0.32
PRSS1 P07477 1/20 0.32
TPSAB1 Q15661 1/20 0.32
TPSD1 Q9BZJ3 1/20 0.32
TPSG1 Q9NRR2 1/20 0.32
HSD11B1 P28845 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
SCHEMBL4865929 0.85 THRB (0.34) THRBP2RX7KMT2AMEN1ALDH1A1
SCHEMBL4863558 0.82 THRB (0.37) THRBP2RX7KMT2AMEN1ALDH1A1
SCHEMBL4864585 0.81 ALDH1A1 (0.36) THRBKMT2AMEN1ALDH1A1
SCHEMBL822920 0.78 ALDH1A1 (0.46) THRBKMT2AMEN1ALDH1A1PRSS1
SCHEMBL4861144 0.76 ALDH1A1 (0.38) THRBKMT2AMEN1ALDH1A1
SCHEMBL4863290 0.75 THRB (0.38) THRBP2RX7KMT2AMEN1ALDH1A1
SCHEMBL4863687 0.73 MEN1 (0.36) THRBKMT2AMEN1ALDH1A1
SCHEMBL4858689 0.73 TSHR (0.37) THRBKMT2AMEN1ALDH1A1
SCHEMBL4116529 0.73 ALDH1A1 (0.42) THRBKMT2AMEN1ALDH1A1PRSS1
SCHEMBL4862175 0.72 P2RX7 (0.35) THRBP2RX7KMT2AMEN1ALDH1A1

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 4663/4885P2RX7 2256/4885KMT2A 2612/4885

“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.