SCHEMBL2032074

SCHEMBL2032074

CCCCC(CCCC)(c1ccc(N)cc1)P(=O)(O)O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FDPS P14324 13/20 0.46
▸ CNR1 P21554 1/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ SMPD1 P17405 2/20 0.40
▸ ESR1 P03372 2/20 0.40
▸ ESR2 Q92731 2/20 0.40
▸ LMNA P02545 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ GGPS1 O95749 7/20 0.38

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
SCHEMBL5441305 0.85 HDAC1 (0.46) FDPSESR1ESR2GGPS1
SCHEMBL11406548 0.83 PTPN1 (0.46) FDPSTSHRGGPS1
SCHEMBL2030830 0.82 FDPS (0.47) FDPSLMNACYP1A2CYP3A4TSHR
SCHEMBL6769521 0.80 FDPS (0.42) FDPSSMPD1ESR1ESR2GGPS1
SCHEMBL11759783 0.80 PTPN1 (0.46) FDPSESR1ESR2GGPS1
SCHEMBL2035156 0.80 FDPS (0.42) FDPSLMNACYP1A2CYP3A4CYP2C9
SCHEMBL11411164 0.79 GGPS1 (0.49) FDPSSMPD1GGPS1
SCHEMBL11475619 0.78 FDPS (0.47) FDPSSMPD1GGPS1
SCHEMBL11418608 0.77 GGPS1 (0.50) FDPSSMPD1GGPS1
SCHEMBL11413454 0.77 GGPS1 (0.50) FDPSSMPD1GGPS1

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-8399433-B2 Amino pyrimidine anticancer compounds OSI Pharmaceuticals, LLC (US) 2013-03-19 — — US disclosed
US-20110136764-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS OSI PHARMACEUTICALS, INC. (US) 2011-06-09 — — 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-20110136764-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS DPYD, PTK2, TYMS FDPS 1145/4885CNR1 3979/4885CNR2 4343/4885

“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.

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