SCHEMBL20249198

SCHEMBL20249198

CC(C)(C)c1ccc(CCCC(=O)O)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.49
P4HTM Q9NXG6 1/20 0.47
HDAC3 O15379 1/20 0.47
MAPK1 P28482 1/20 0.47
ADRA1A P35348 1/20 0.47
HDAC4 P56524 1/20 0.47
SLC6A3 Q01959 1/20 0.47
HDAC1 Q13547 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
NR1H4 Q96RI1 1/20 0.47
TBXAS1 P24557 7/20 0.45
CYP1A2 P05177 2/20 0.45

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
SCHEMBL15215450 0.90 P4HTM (0.58) P4HTMNR1H4ALDH1A1LMNAL3MBTL1
SCHEMBL3938190 0.84 PLAAT3 (0.50) HSD17B10P4HTMHDAC3MAPK1ADRA1A
SCHEMBL30426996 0.84 PLAAT3 (0.50) HSD17B10P4HTMHDAC3MAPK1ADRA1A
SCHEMBL20249204 0.80 CA2 (0.43) MAPK1SMN1; SMN2CYP1A2KDM4EMEN1
SCHEMBL12252234 0.80 GABRP (0.56) HSD17B10P4HTMNR1H4KDM4EALDH1A1
SCHEMBL20249178 0.79 ALDH1A1 (0.47) P4HTMSMN1; SMN2CYP1A2KDM4EMEN1
SCHEMBL30227184 0.79 SMN1; SMN2 (0.60) HSD17B10P4HTMHDAC3MAPK1ADRA1A
SCHEMBL7209273 0.79 SMN1; SMN2 (0.60) HSD17B10P4HTMHDAC3MAPK1ADRA1A
SCHEMBL20249185 0.79 CA2 (0.45) MAPK1SMN1; SMN2CYP1A2KDM4EMEN1
SCHEMBL10262595 0.78 NFKB1 (0.51) HSD17B10MAPK1SMN1; SMN2CYP1A2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF TEIJIN PHARMA LIMITED (JP) 2018-06-14 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 (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-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF CDK4, CDK6, CDK16 HSD17B10 2513/4885P4HTM 1997/4885HDAC3 197/4885

“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.