SCHEMBL26501101

SCHEMBL26501101

CC(C)CCCc1ccc(OCC(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 4/20 0.49
MAPT P10636 3/20 0.45
MEN1 O00255 1/20 0.45
ALOX12 P18054 1/20 0.45
KMT2A Q03164 1/20 0.45
LMNA P02545 1/20 0.43
GRIN2D O15399 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
S1PR1 P21453 3/20 0.43
ADRB2 P07550 2/20 0.42
ADRB1 P08588 1/20 0.42
ADRB3 P13945 1/20 0.42
S1PR4 O95977 2/20 0.42
S1PR5 Q9H228 2/20 0.42
S1PR2 O95136 1/20 0.42
S1PR3 Q99500 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
POLB P06746 2/20 0.41

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
SCHEMBL10284902 0.85 S1PR1 (0.49) ACACBMAPTMEN1ALOX12KMT2A
SCHEMBL12040556 0.82 MAPT (0.57) MAPTMEN1ALOX12KMT2ATDP1
SCHEMBL20175352 0.82 ACACB (0.46) ACACBMAPTMEN1ALOX12KMT2A
SCHEMBL9483638 0.82 S1PR1 (0.50) ACACBMEN1KMT2ALMNAS1PR1
SCHEMBL20780568 0.81 ACACB (0.50) ACACBMAPTMEN1ALOX12KMT2A
SCHEMBL8158210 0.81 CALM1 (0.58) MAPTMEN1KMT2APOLBSMN1; SMN2
SCHEMBL8683110 0.81 MAPK1 (0.54) MEN1KMT2ALMNAGRIN2DGRIN2A
SCHEMBL123415 0.79 MAPT (0.55) ACACBMAPTMEN1ALOX12KMT2A
SCHEMBL11157593 0.79 TAAR1 (0.57) ACACBLMNA
SCHEMBL20739975 0.79 ACACB (0.49) ACACBMAPTMEN1ALOX12KMT2A

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-20230321253-A1 BIFUNCTIONAL COMPOUNDS AND PHARMACEUTICAL USES THEREOF Risen (Suzhou) Pharma Tech Co., Ltd. (CN) 2023-10-12 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-20230321253-A1 BIFUNCTIONAL COMPOUNDS AND PHARMACEUTICAL USES THEREOF KRAS, MDM2, NRAS ACACB 2700/4885MAPT 1549/4885MEN1 1557/4885

“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.