SCHEMBL29397018

SCHEMBL29397018

CC1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13CC[C@@](C)(CC[C@H]12)C3

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
PTPN1 P18031 3/20 0.40
F10 P00742 4/20 0.40
HSD11B1 P28845 3/20 0.40
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.37
IDO1 P14902 2/20 0.36
PTPN2 P17706 1/20 0.36
CDC25B P30305 1/20 0.36
ENTPD5 O75356 1/20 0.34
HSD11B2 P80365 1/20 0.33
LTB4R Q15722 1/20 0.33
PIK3CB P42338 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL18799413 0.80 ALDH1A1 (0.40) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL22922106 0.80 HSD11B1 (0.64) ALDH1A1CYP3A4PTPN1F10HSD11B1
SCHEMBL24721979 0.80 F10 (0.39) PTPN1F10HSD11B1MEN1KMT2A
SCHEMBL13401505 0.80 HSD11B1 (0.64) ALDH1A1CYP3A4PTPN1F10HSD11B1
SCHEMBL22922195 0.80 HSD11B1 (0.64) ALDH1A1CYP3A4PTPN1F10HSD11B1
SCHEMBL22922186 0.79 F10 (0.66) CYP2C9PTPN1F10HSD11B1MEN1
SCHEMBL22922196 0.79 F10 (0.66) CYP2C9PTPN1F10HSD11B1MEN1
SCHEMBL31571702 0.78 ALDH1A1 (0.41) ALDH1A1
SCHEMBL3493335 0.73 HSD11B1 (0.56) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL3490504 0.73 HSD11B1 (0.44) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240337643-A1 AGE DIFFERENTIATION OF CRUDE OILS USING CHEMICAL FOSSIL ASSEMBLAGE ExxonMobil Technology and Engineering Company (US) 2024-10-10 US disclosed
EP-4384820-A1 AGE DIFFERENTIATION OF CRUDE OILS USING CHEMICAL FOSSIL ASSEMBLAGE ExxonMobil Technology and Engineering Company (US) 2024-06-19 EP disclosed
CN-117986205-B Isosteviol derivative and preparation method and application thereof 广东工业大学 2024-06-18 CN disclosed
CN-117402799-A Recombinant cell, method for producing recombinant cell, and method for producing isoprene or terpene 积水化学工业株式会社 2024-01-16 CN disclosed
US-11851602-B2 Epoxide and fluorinated epoxide stabilizers for fluoroolefins THE CHEMOURS COMPANY FC, LLC (US) 2023-12-26 US disclosed
CN-110268058-B Recombinant cell, method for producing recombinant cell, and method for producing isoprene or terpene 积水化学工业株式会社 2023-11-21 CN disclosed
WO-2023019060-A1 AGE DIFFERENTIATION OF CRUDE OILS USING CHEMICAL FOSSIL ASSEMBLAGE EXXONMOBIL UPSTREAM RESEARCH COMPANY (US) 2023-02-16 WO disclosed
US-20220204437-A1 New Kaurane analogues, their preparation and therapeutically uses KEY PHARMA BIOMEDICAL INC (CN) 2022-06-30 US disclosed
US-11261450-B2 Recombinant cell, method for producing recombinant cell, and method for producing isoprene or terpene SEKISUI CHEMICAL CO., LTD. (JP) 2022-03-01 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-20220204437-A1 New Kaurane analogues, their preparation and therapeutically uses CKMT1A; CKMT1B, HSPE1, CS ALDH1A1 325/4885CYP3A4 2786/4885CYP2C9 2980/4885

“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.