SCHEMBL2845847

SCHEMBL2845847

CCCCCCCCCCCCOC(=O)c1cccc(C(=O)OCc2ccccc2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.64
▸ TSHR P16473 3/20 0.64
▸ ALDH1A1 P00352 3/20 0.64
▸ CYP3A4 P08684 2/20 0.64
▸ MAPK1 P28482 2/20 0.64
▸ L3MBTL1 Q9Y468 1/20 0.64
▸ SLC6A2 P23975 1/20 0.58
▸ SLC6A3 Q01959 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ LMNA P02545 3/20 0.56
▸ RAB9A P51151 3/20 0.55
▸ CNR2 P34972 1/20 0.55
▸ TP53 P04637 1/20 0.54
▸ ESR1 P03372 3/20 0.52
▸ NPC1 O15118 2/20 0.52
▸ MAPT P10636 1/20 0.52
▸ AKR1C4 P17516 1/20 0.52
▸ AKR1C3 P42330 1/20 0.52
▸ AKR1C2 P52895 1/20 0.52
▸ AKR1C1 Q04828 1/20 0.52

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
SCHEMBL11297076 1.00 TDP1 (0.64) TDP1TSHRALDH1A1CYP3A4MAPK1
SCHEMBL18969810 0.94 TDP1 (0.72) TDP1TSHRALDH1A1CYP3A4MAPK1
SCHEMBL11985700 0.92 TDP1 (0.69) TDP1TSHRALDH1A1CYP3A4MAPK1
SCHEMBL27988563 0.90 ALDH1A1 (0.69) TDP1TSHRALDH1A1CYP3A4MAPK1
SCHEMBL10432074 0.90 ALDH1A1 (0.69) TDP1TSHRALDH1A1CYP3A4MAPK1
SCHEMBL111221 0.89 LMNA (0.66) TDP1TSHRALDH1A1CYP3A4MAPK1
SCHEMBL110817 0.89 LMNA (0.66) TDP1TSHRALDH1A1CYP3A4MAPK1
SCHEMBL5366432 0.89 LMNA (0.66) TDP1TSHRALDH1A1CYP3A4MAPK1
SCHEMBL5373212 0.89 LMNA (0.66) TDP1TSHRALDH1A1CYP3A4MAPK1
SCHEMBL5371920 0.89 LMNA (0.66) TDP1TSHRALDH1A1CYP3A4MAPK1

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-8299004-B2 Hydraulic fluid and hydraulic system IDEMITSU KOSAN CO., LTD. (JP) 2012-10-30 — — US disclosed
US-20100130394-A1 HYDRAULIC FLUID AND HYDRAULIC SYSTEM IDEMITSU KOSAN CO., LTD (JP) 2010-05-27 — — 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 (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-20100130394-A1 HYDRAULIC FLUID AND HYDRAULIC SYSTEM AQP1, AQP3, TECR TDP1 3396/4885TSHR 4028/4885ALDH1A1 4415/4885

“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.

Send feedback