SCHEMBL315296

SCHEMBL315296

[CH2]c1c(C)[nH]c2c(C)cc(C)cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
ABCB1 P08183 1/20 0.42
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
HSD17B10 Q99714 1/20 0.39
AHR P35869 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PARP1 P09874 2/20 0.34
DAO P14920 1/20 0.34
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32

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
SCHEMBL315297 0.78 MAPT (0.53) MAPTABCB1GRIN2DGRIN3BGRIN1
SCHEMBL20090288 0.77 MAPT (0.61) MAPTABCB1GRIN2DGRIN3BGRIN1
SCHEMBL29364610 0.77 MAPT (0.61) MAPTABCB1GRIN2DGRIN3BGRIN1
SCHEMBL29975937 0.77 MAPT (0.61) MAPTABCB1GRIN2DGRIN3BGRIN1
SCHEMBL29952685 0.71 MAPT (0.50) MAPTABCB1GRIN2DGRIN3BGRIN1
Acetaldehyde SCHEMBL15187460 0.69 MAPT (0.44) MAPTABCB1GRIN2DGRIN3BGRIN1
SCHEMBL8573906 0.67 KDM4E (0.65) MAPTABCB1GRIN2DGRIN3BGRIN1
SCHEMBL29617331 0.67 MAPT (0.60) MAPTABCB1GRIN2DGRIN3BGRIN1
SCHEMBL19689950 0.67 MAPT (0.60) MAPTABCB1GRIN2DGRIN3BGRIN1
SCHEMBL29255725 0.66 MAPT (0.41) MAPTABCB1GRIN2DGRIN3BGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093400-B2 Compounds useful in therapy PFIZER INC. (US) 2012-01-10 US disclosed
US-20100317652-A1 Compounds Useful In Therapy PFIZER INC 2010-12-16 US disclosed
US-7745630-B2 Triazolyl piperidine arginine vasopressin receptor modulators BRYANS JUSTIN STEPHEN 2010-06-29 US disclosed
CN-1898244-A Triazole derivatives as vasopressin antagonists PFIZER (US) 2007-01-17 CN disclosed
US-20050154024-A1 Compounds useful in therapy PFIZER INC 2005-07-14 US 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-20050154024-A1 Compounds useful in therapy PTGER4, PTGER3, ALOX5 MAPT 4829/4885ABCB1 510/4885GRIN2D 1618/4885
US-20100317652-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 MAPT 4518/4885ABCB1 559/4885GRIN2D 1413/4885

“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.