SCHEMBL9009741

SCHEMBL9009741

CCC(C)c1ccc2cc(OC)ccc2c1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.72
AKR1C3 P42330 7/20 0.59
AKR1C2 P52895 7/20 0.59
PTGS1 P23219 3/20 0.59
AKR1C1 Q04828 1/20 0.59
PTGS2 P35354 3/20 0.56
TSHR P16473 2/20 0.56
CDC42 P60953 1/20 0.56
RAC1 P63000 1/20 0.56
CYP1A2 P05177 1/20 0.56
SLC22A6 Q4U2R8 1/20 0.56
MAPT P10636 2/20 0.53
LMNA P02545 1/20 0.53
CYP2C9 P11712 1/20 0.53
ALOX5 P09917 2/20 0.53
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ALDH1A1 P00352 1/20 0.50
GAA P10253 1/20 0.50

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
SCHEMBL28346869 1.00 ABCB11 (0.72) ABCB11AKR1C3AKR1C2PTGS1AKR1C1
SCHEMBL11998984 0.87 ABCB11 (0.56) ABCB11AKR1C3AKR1C2PTGS1AKR1C1
SCHEMBL9167387 0.86 ALDH1A1 (0.53) ABCB11AKR1C3AKR1C2AKR1C1TSHR
SCHEMBL9630941 0.86 ABCB11 (0.68) ABCB11AKR1C3AKR1C2PTGS1AKR1C1
Naproxol SCHEMBL10395753 0.84 ABCB11 (1.00) ABCB11AKR1C3AKR1C2PTGS1AKR1C1
Naproxol SCHEMBL30599771 0.84 ABCB11 (1.00) ABCB11AKR1C3AKR1C2PTGS1AKR1C1
Naproxol SCHEMBL29979997 0.84 ABCB11 (1.00) ABCB11AKR1C3AKR1C2PTGS1AKR1C1
SCHEMBL13803017 0.84 ABCB11 (0.70) ABCB11AKR1C3AKR1C2PTGS1AKR1C1
SCHEMBL8474842 0.84 ABCB11 (0.70) ABCB11AKR1C3AKR1C2PTGS1AKR1C1
Naproxol SCHEMBL43203 0.84 ABCB11 (1.00) ABCB11AKR1C3AKR1C2PTGS1AKR1C1

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-20230167059-A1 AMINO ACID DERIVATIVE CONTAINING NON-STEROIDAL ANTI-INFLAMMATORY DRUG STRUCTURE AND PREPARATION METHOD AND APPLICATION THEREOF JIANGSU PROTELIGHT PHARMACEUTICAL & BIOTECHNOLOGY CO., LTD. (CN) 2023-06-01 US disclosed
CN-110655456-B Method for preparing chiral alkyl compound by asymmetric catalytic hydrogenation of E/Z mixed or single-configuration tri-substituted olefin 浙江大学 2020-11-24 CN disclosed
CN-110655456-A Method for preparing chiral alkyl compound by asymmetric catalytic hydrogenation of E/Z mixed or single-configuration tri-substituted olefin 浙江大学 2020-01-07 CN disclosed
US-9896587-B2 Planarizing agents and devices NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2018-02-20 US disclosed
US-20140299858-A1 PLANARIZING AGENTS AND DEVICES NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2014-10-09 US disclosed
US-8709291-B2 Planarizing agents and devices PLEXTRONICS, INC. (US) 2014-04-29 US disclosed
US-20120277367-A1 PLANARIZING AGENTS AND DEVICES PLEXTRONICS, INC. 2012-11-01 US disclosed
US-8187501-B2 Planarizing agents and devices PLEXTRONICS, INC. (US) 2012-05-29 US disclosed
US-20100072462-A1 PLANARIZING AGENTS AND DEVICES PLEXTRONICS, INC. 2010-03-25 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-20230167059-A1 AMINO ACID DERIVATIVE CONTAINING NON-STEROIDAL ANTI-INFLAMMATORY DRUG STRUCTURE AND PREPARATION METHOD AND APPLICATION THEREOF IL4I1, TNF, AADAT ABCB11 1827/4885AKR1C3 1139/4885AKR1C2 905/4885

“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.