SCHEMBL10260983

SCHEMBL10260983

CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3OC(=O)[C@@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.45
▸ MAPT P10636 2/20 0.45
▸ ALOX15 P16050 2/20 0.45
▸ LMNA P02545 4/20 0.43
▸ USP2 O75604 2/20 0.43
▸ NPC1L1 Q9UHC9 1/20 0.43
▸ TRPV1 Q8NER1 1/20 0.41
▸ CYP3A4 P08684 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ NR1I2 O75469 1/20 0.40
▸ PGR P06401 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ GPBAR1 Q8TDU6 1/20 0.39
▸ VDR P11473 1/20 0.39
▸ PTPN1 P18031 1/20 0.39
▸ AR P10275 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 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
SCHEMBL14549339 0.86 LMNA (0.46) ALDH1A1MAPTLMNAUSP2NPC1L1
SCHEMBL26653397 0.82 LMNA (0.63) ALDH1A1MAPTALOX15LMNAUSP2
SCHEMBL29486944 0.82 LMNA (0.63) ALDH1A1MAPTALOX15LMNAUSP2
SCHEMBL29486942 0.82 LMNA (0.63) ALDH1A1MAPTALOX15LMNAUSP2
SCHEMBL26653679 0.82 LMNA (0.63) ALDH1A1MAPTALOX15LMNAUSP2
SCHEMBL11232551 0.82 LMNA (0.63) ALDH1A1MAPTALOX15LMNAUSP2
SCHEMBL11232557 0.82 LMNA (0.63) ALDH1A1MAPTALOX15LMNAUSP2
SCHEMBL26653400 0.82 LMNA (0.63) ALDH1A1MAPTALOX15LMNAUSP2
SCHEMBL26653683 0.82 LMNA (0.63) ALDH1A1MAPTALOX15LMNAUSP2
SCHEMBL13324310 0.74 GPBAR1 (0.72) MAPTLMNAUSP2CYP3A4GPBAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150119585-A1 STEROL DERIVATIVE KYOWA HAKKO KIRIN CO., LTD (JP) 2015-04-30 — — US disclosed
US-20150119585-A1 STEROL DERIVATIVE KYOWA HAKKO KIRIN CO., LTD (JP) 2015-04-30 — — US disclosed
US-8952003-B2 Sterol derivative KYOWA HAKKO KIRIN CO., LTD (JP) 2015-02-10 — — US disclosed
US-8952003-B2 Sterol derivative KYOWA HAKKO KIRIN CO., LTD (JP) 2015-02-10 — — US disclosed
US-20120172348-A1 STEROL DERIVATIVE KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-07-05 — — US disclosed
US-20120172348-A1 STEROL DERIVATIVE KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-07-05 — — US disclosed
US-20110020931-A1 PROLIFERATION PROMOTING AGENT FOR NEURAL STEM CELLS KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-01-27 — — US disclosed
US-20110020931-A1 PROLIFERATION PROMOTING AGENT FOR NEURAL STEM CELLS KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-01-27 — — 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 (3 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-20120172348-A1 STEROL DERIVATIVE NR1H3, NR1H2, SREBF1 ALDH1A1 1621/4885MAPT 3023/4885ALOX15 920/4885
US-20150119585-A1 STEROL DERIVATIVE NR1H3, NR1H2, SREBF1 ALDH1A1 1621/4885MAPT 3023/4885ALOX15 920/4885
US-20110020931-A1 PROLIFERATION PROMOTING AGENT FOR NEURAL STEM CELLS NES, CALD1, BRD1 ALDH1A1 1424/4885MAPT 1505/4885ALOX15 2482/4885

“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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