SCHEMBL18243262

SCHEMBL18243262

[O]C1c2ccccc2CCC1Cl

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.46
PDPK1 O15530 1/20 0.46
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CYP11B2 P19099 1/20 0.43
HTR6 P50406 2/20 0.42
ACP3 P15309 1/20 0.41
PIN1 Q13526 1/20 0.41
SRD5A1 P18405 2/20 0.40

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
SCHEMBL10181685 0.83 IDO1 (0.48) IDO1PDPK1CA1CA2CYP11B2
SCHEMBL790430 0.83 IDO1 (0.48) IDO1PDPK1CA1CA2CYP11B2
SCHEMBL18243356 0.79 IDO1 (0.42) IDO1PDPK1CA1CA2CYP11B2
SCHEMBL30715527 0.78 IDO1 (0.44) IDO1PDPK1CYP11B2HTR6ACP3
SCHEMBL18378125 0.78 PDPK1 (0.48) IDO1PDPK1CA1CA2CYP11B2
SCHEMBL18242239 0.78 IDO1 (0.44) IDO1PDPK1CA1CA2CYP11B2
SCHEMBL18378585 0.78 IDO1 (0.44) IDO1PDPK1CA1CA2CYP11B2
SCHEMBL18244487 0.78 IDO1 (0.44) IDO1PDPK1CA1CA2CYP11B2
SCHEMBL18242708 0.76 MTNR1A (0.43) IDO1PDPK1CA1CA2CYP11B2
SCHEMBL18378395 0.76 IDO1 (0.40) IDO1PDPK1CA1CA2CYP11B2

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-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

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 IDO1 3306/4885PDPK1 3421/4885CA1 719/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 IDO1 3306/4885PDPK1 3421/4885CA1 719/4885

“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.