SCHEMBL3848800

SCHEMBL3848800

Oc1cccc2cc(OCC3CO3)ccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
TP53 P04637 3/20 0.59
TSHR P16473 3/20 0.59
HIF1A Q16665 2/20 0.59
CYP3A4 P08684 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
TDP1 Q9NUW8 1/20 0.49
MAPT P10636 2/20 0.43
HPGD P15428 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
PKM P14618 2/20 0.43
CYP1A2 P05177 2/20 0.43
PPARG P37231 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
FGFR1 P11362 1/20 0.41
SRC P12931 1/20 0.41
PLAU P00749 1/20 0.41
HSD17B1 P14061 5/20 0.40

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
SCHEMBL24591602 0.89 ALDH1A1 (0.59) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL29354355 0.84 ALDH1A1 (0.61) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL24942524 0.84 ALDH1A1 (0.61) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL45820 0.84 ALDH1A1 (0.61) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL23171858 0.84 ALDH1A1 (0.61) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL16258166 0.84 ALDH1A1 (0.61) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL31537012 0.83 ALDH1A1 (0.59) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL1476399 0.80 HSD17B1 (0.46) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL844653 0.80 ALDH1A1 (0.68) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL4620895 0.80 ALDH1A1 (0.68) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160096964-A1 FLAKY GRAPHITE CONTAINING BORON AND PRODUCTION METHOD THEREFOR SHOWA DENKO K.K. (JP) 2016-04-07 US disclosed
EP-2998271-A1 FLAKY GRAPHITE CONTAINING BORON AND PRODUCTION METHOD THEREFOR Showa Denko K.K. (JP) 2016-03-23 EP disclosed
US-20090280331-A1 PHOSPHORUS-CONTAINING BENZOXAZINE COMPOUND, PROCESS FOR PRODUCTION THEREOF, CURABLE RESIN COMPOSITION, CURED ARTICLE, AND LAMINATE PLATE SHOWA HIGHPOLYMER CO., LTD. (JP) 2009-11-12 US disclosed
US-20090274916-A1 PHOSPHORUS-CONTAINING BENZOXAZINE COMPOUND, PROCESS FOR PRODUCTION THEREOF, CURABLE RESIN COMPOSITION, CURED ARTICLE, AND LAMINATE PLATE SHOWA HIGHPOLYMER CO., LTD (JP) 2009-11-05 US disclosed
EP-2050756-A1 PHOSPHORUS-CONTAINING BENZOXAZINE COMPOUND, PROCESS FOR PRODUCTION THEREOF, CURABLE RESIN COMPOSITION, CURED ARTICLE, AND LAMINATE PLATE SHOWA HIGHPOLYMER CO., LTD. (JP) 2009-04-22 EP disclosed
EP-2048147-A1 PHOSPHORUS-CONTAINING BENZOXAZINE COMPOUND, PROCESS FOR PRODUCTION THEREOF, CURABLE RESIN COMPOSITION, CURED ARTICLE, AND LAMINATE PLATE SHOWA HIGHPOLYMER CO., LTD. (JP) 2009-04-15 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 (2 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-20090274916-A1 PHOSPHORUS-CONTAINING BENZOXAZINE COMPOUND, PROCESS FOR PRODUCTION THEREOF, CURABLE RESIN COMPOSITION, CURED ARTICLE, AND LAMINATE PLATE P2RX5, P2RX4, KDM5A ALDH1A1 2049/4885TP53 3940/4885TSHR 4464/4885
US-20090280331-A1 PHOSPHORUS-CONTAINING BENZOXAZINE COMPOUND, PROCESS FOR PRODUCTION THEREOF, CURABLE RESIN COMPOSITION, CURED ARTICLE, AND LAMINATE PLATE P2RX5, KDM5A, P2RX4 ALDH1A1 1946/4885TP53 3740/4885TSHR 4511/4885

“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.