SCHEMBL2425591

SCHEMBL2425591

c1cc(OCC2CO2)c(C23CC4CC(CC(C4)C2)C3)cc1OCC1CO1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
TP53 P04637 3/20 0.49
TSHR P16473 3/20 0.49
HIF1A Q16665 2/20 0.49
CYP3A4 P08684 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 2/20 0.44
CYP1A2 P05177 1/20 0.44
PPARG P37231 1/20 0.44
TDP1 Q9NUW8 2/20 0.43
LMNA P02545 3/20 0.41
PKM P14618 2/20 0.41
GAA P10253 1/20 0.41
GLA P06280 1/20 0.40
RARA P10276 3/20 0.38
RARB P10826 2/20 0.38
RARG P13631 2/20 0.38

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
SCHEMBL2420676 0.92 ALDH1A1 (0.47) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL2422436 0.89 ALDH1A1 (0.49) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL3766035 0.89 ALDH1A1 (0.49) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL549618 0.86 KMT2A (0.41) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL3767159 0.86 ALDH1A1 (0.54) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL548846 0.86 ALDH1A1 (0.42) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL549875 0.84 ALDH1A1 (0.41) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL2422132 0.84 ALDH1A1 (0.49) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL12056650 0.84 ALDH1A1 (0.43) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL548767 0.83 ALDH1A1 (0.41) ALDH1A1TP53TSHRHIF1ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8084650-B2 Adamantane derivative, resin composition containing same, and optoelectronic member and sealing agent for electronic circuit using those IDEMITSU KOSAN CO., LTD. (JP) 2011-12-27 US disclosed
US-8017800-B2 Adamantyl group-containing epoxy-modified (meth)acrylate and resin composition containing the same IDEMITSU KOSAN CO., LTD. (JP) 2011-09-13 US disclosed
US-20100298491-A1 ADAMANTANE DERIVATIVE, RESIN COMPOSITION CONTAINING SAME, AND OPTOELECTRONIC MEMBER AND SEALING AGENT FOR ELECTRONIC CIRCUIT USING THOSE IDEMITSU KOSAN CO., LTD. (JP) 2010-11-25 US disclosed
US-20100274043-A1 ADAMANTYL GROUP-CONTAINING EPOXY-MODIFIED (METH)ACRYLATE AND RESIN COMPOSITION CONTAINING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2010-10-28 US disclosed
US-7790917-B2 Adamantyl group-containing epoxy-modified (meth)acrylate and resin composition containing the same IDEMITSU KOSAN CO., LTD. (JP) 2010-09-07 US disclosed
US-20090099330-A1 ADAMANTYL GROUP-CONTAINING EPOXY-MODIFIED (METH)ACRYLATE AND RESIN COMPOSITION CONTAINING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2009-04-16 US disclosed
EP-2014691-A1 ADAMANTYL GROUP-CONTAINING EPOXY-MODIFIED (METH)ACRYLATE AND RESIN COMPOSITION CONTAINING THE SAME Idemitsu Kosan Co., Ltd. (JP) 2009-01-14 EP disclosed
EP-1985616-A1 ADAMANTANE DERIVATIVE, RESIN COMPOSITION CONTAINING SAME, AND OPTOELECTRONIC MEMBER AND SEALING AGENT FOR ELECTRONIC CIRCUIT USING THOSE Idemitsu Kosan Co., Ltd. (JP) 2008-10-29 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 (3 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-20100298491-A1 ADAMANTANE DERIVATIVE, RESIN COMPOSITION CONTAINING SAME, AND OPTOELECTRONIC MEMBER AND SEALING AGENT FOR ELECTRONIC CIRCUIT USING THOSE AOC1, ASIC1, ICAM1 ALDH1A1 10/4885TP53 4522/4885TSHR 4688/4885
US-20100274043-A1 ADAMANTYL GROUP-CONTAINING EPOXY-MODIFIED (METH)ACRYLATE AND RESIN COMPOSITION CONTAINING THE SAME TAS2R42, MEP1A, TAS2R41 ALDH1A1 219/4885TP53 4246/4885TSHR 2423/4885
US-20090099330-A1 ADAMANTYL GROUP-CONTAINING EPOXY-MODIFIED (METH)ACRYLATE AND RESIN COMPOSITION CONTAINING THE SAME TAS2R42, MEP1A, TAS2R41 ALDH1A1 227/4885TP53 4276/4885TSHR 2420/4885

“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.