SCHEMBL7308613

SCHEMBL7308613

CCCCc1cc([O])c2ccccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
LMNA P02545 2/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
DHODH Q02127 1/20 0.41
CTSV O60911 1/20 0.40
CTSL P07711 1/20 0.40
BCHE P06276 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
ABCB11 O95342 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
SCN1A P35498 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN3A Q9NY46 1/20 0.39
PARP1 P09874 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
PSMB5 P28074 1/20 0.38
NPC1 O15118 1/20 0.38
HPGD P15428 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
SCHEMBL18377978 0.89 GPR84 (0.41) MAPTLMNAALDH1A1SMN1; SMN2CYP1A2
SCHEMBL18242839 0.82 CYP1A2 (0.50) MAPTLMNAALDH1A1SMN1; SMN2CYP1A2
SCHEMBL5542991 0.81 TRPV1 (0.43) ALDH1A1SMN1; SMN2BCHECYP1A2TRPV1
SCHEMBL27279895 0.81 TLR8 (0.45) MAPTLMNAALDH1A1SMN1; SMN2DHODH
SCHEMBL28783566 0.79 PLAU (0.41) MAPTLMNAALDH1A1SMN1; SMN2DHODH
SCHEMBL8728861 0.79 LMNA (0.42) MAPTLMNAALDH1A1SMN1; SMN2DHODH
SCHEMBL8728863 0.79 LMNA (0.42) MAPTLMNAALDH1A1SMN1; SMN2DHODH
SCHEMBL3272457 0.79 TDP1 (0.44) MAPTLMNAALDH1A1SMN1; SMN2DHODH
SCHEMBL2687118 0.79 MAPT (0.45) MAPTLMNAALDH1A1SMN1; SMN2CTSV
SCHEMBL25991550 0.78 CA1 (0.47) MAPTLMNAALDH1A1SMN1; SMN2DHODH

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-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2019-10-22 US disclosed
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2016-11-24 US disclosed
US-5629406-A AMINO ACID DERIVATIVES SANKYO COMPANY, LIMITED (JP) 1997-05-13 US disclosed
EP-0587311-A1 Peptides capable of inhibiting the activity of HIV protease, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1994-03-16 EP 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 (2 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-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical CBR1, HAO2, CBR3 MAPT 4853/4885LMNA 2963/4885ALDH1A1 151/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 MAPT 4853/4885LMNA 2963/4885ALDH1A1 151/4885

“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.