SCHEMBL27809448

SCHEMBL27809448

CCC(O)CC(CC)CCCO

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
CA2 P00918 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL22660996 0.86 THRB (0.38) ALDH1A1LMNATSHR
SCHEMBL27621433 0.85 ALDH1A1 (0.54) ALDH1A1TDP1LMNACYP3A4TSHR
SCHEMBL8607642 0.84 ALDH1A1 (0.44) ALDH1A1TDP1LMNACYP3A4TSHR
SCHEMBL10990505 0.84 ALDH1A1 (0.56) ALDH1A1TDP1LMNACYP3A4TSHR
SCHEMBL9724865 0.84 ALDH1A1 (0.38) ALDH1A1
SCHEMBL6241547 0.83 ALDH1A1 (0.45) ALDH1A1TDP1LMNACYP3A4TSHR
SCHEMBL4880627 0.81 ALDH1A1 (0.46) ALDH1A1TDP1LMNACYP3A4TSHR
SCHEMBL561350 0.81 SMN1; SMN2 (0.36) ALDH1A1LMNACYP3A4TSHRSMN1; SMN2
SCHEMBL31602103 0.80 LMNA (0.52) ALDH1A1TDP1LMNACYP3A4TSHR
SCHEMBL1038859 0.80

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180071287-A1 PHARMACEUTICAL COMPOSITIONS OF 7-(6-(2-HYDROXYPROPAN-2-YL)PYRIDIN-3-YL)-1-((TRANS)-4-METHOXYCYCLOHEXYL)-3,4-DIHYDROPYRAZINO [2,3-B]PYRAZIN-2(1H)-ONE, A SOLID FORM THEREOF AND METHODS OF THEIR USE SIGNAL PHARM LLC (US) 2018-03-15 US disclosed
CN-101755240-A Cleaning composition for removing resist ANJI MICROELECTRONICS SHANGHAI 2010-06-23 CN 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-20180071287-A1 PHARMACEUTICAL COMPOSITIONS OF 7-(6-(2-HYDROXYPROPAN-2-YL)PYRIDIN-3-YL)-1-((TRANS)-4-METHOXYCYCLOHEXYL)-3,4-DIHYDROPYRAZINO [2,3-B]PYRAZIN-2(1H)-ONE, A SOLID FORM THEREOF AND METHODS OF THEIR USE CYP11B2, CYP27A1, CYP11B1 ALDH1A1 475/4885TDP1 1733/4885LMNA 432/4885

“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.