SCHEMBL4863558

SCHEMBL4863558

C=CC(=O)OCCC12CC3CC(C1)CC(CCSCSc1ccccc1)(C3)C2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.37
KMT2A Q03164 6/20 0.33
MEN1 O00255 5/20 0.33
HSD11B1 P28845 1/20 0.32
ALDH1A1 P00352 6/20 0.32
MAPT P10636 3/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP2D6 P10635 2/20 0.32
P2RX7 Q99572 4/20 0.31
RECQL P46063 2/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
KDM4E B2RXH2 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL4863290 0.86 THRB (0.38) THRBKMT2AMEN1HSD11B1ALDH1A1
SCHEMBL4864619 0.82 MEN1 (0.40) THRBKMT2AMEN1ALDH1A1MAPT
SCHEMBL4864920 0.82 THRB (0.33) THRBKMT2AMEN1HSD11B1ALDH1A1
SCHEMBL4862814 0.78 MEN1 (0.40) THRBKMT2AMEN1ALDH1A1MAPT
SCHEMBL4856975 0.76 TSHR (0.43) THRBKMT2AMEN1ALDH1A1MAPT
SCHEMBL5184861 0.76 TSHR (0.40) THRBKMT2AMEN1ALDH1A1MAPT
SCHEMBL4865929 0.75 THRB (0.34) THRBKMT2AMEN1ALDH1A1P2RX7
SCHEMBL4858002 0.74 TSHR (0.46) THRBKMT2AMEN1ALDH1A1MAPT
SCHEMBL4858011 0.73 ALDH1A1 (0.40) THRBKMT2AMEN1ALDH1A1MAPT
SCHEMBL4862799 0.72 MEN1 (0.39) THRBKMT2AMEN1ALDH1A1MAPT

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.