SCHEMBL12620337

SCHEMBL12620337

C=C1C(=O)OC2CC3(C)C(=CCCC3C)CC12

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ XBP1 P17861 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ MDM2 Q00987 1/20 0.42
▸ PTGS2 P35354 2/20 0.41
▸ UBE2D3 P61077 1/20 0.41
▸ CYP3A4 P08684 2/20 0.38
▸ NLRP3 Q96P20 2/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ STAT3 P40763 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ PKM P14618 1/20 0.36
▸ RECQL P46063 1/20 0.36

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
SCHEMBL23107237 0.90 MAPT (0.47) MAPTRAB9ANPC1XBP1HTT
SCHEMBL29383396 0.90 MAPT (0.47) MAPTRAB9ANPC1XBP1HTT
SCHEMBL14947797 0.90 MAPT (0.47) MAPTRAB9ANPC1XBP1HTT
SCHEMBL24246322 0.90 MAPT (0.47) MAPTRAB9ANPC1XBP1HTT
SCHEMBL29379738 0.90 MAPT (0.47) MAPTRAB9ANPC1XBP1HTT
SCHEMBL24246204 0.72 SMN1; SMN2 (0.34) CYP2C19
SCHEMBL23106956 0.72 SMN1; SMN2 (0.34) CYP2C19
SCHEMBL29382094 0.72 SMN1; SMN2 (0.34) CYP2C19
SCHEMBL23106927 0.72 SMN1; SMN2 (0.34) CYP2C19
SCHEMBL29380272 0.72 SMN1; SMN2 (0.34) CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7951406-B2 Demonstrate cytotoxic activity against a variety of cell types exhibiting hyperproliferative cell division; anticarcinogenic agents; ovarian cancer; naphtho(2,3-b)furan derivatives CAROLINE VAN HAAFTEN (NL) 2011-05-31 — — US disclosed
US-7951406-B2 Demonstrate cytotoxic activity against a variety of cell types exhibiting hyperproliferative cell division; anticarcinogenic agents; ovarian cancer; naphtho(2,3-b)furan derivatives CAROLINE VAN HAAFTEN (NL) 2011-05-31 — — US disclosed
US-20080233214-A1 Therapeutic Compounds Isolated from Calomeria Amaranthoides VAN HAAFTEN CAROLINE 2008-09-25 — — US disclosed
US-20080233214-A1 Therapeutic Compounds Isolated from Calomeria Amaranthoides VAN HAAFTEN CAROLINE 2008-09-25 — — 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-20080233214-A1 Therapeutic Compounds Isolated from Calomeria Amaranthoides MKI67, CALU, CALR MAPT 2702/4885RAB9A 2586/4885NPC1 1678/4885

“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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