SCHEMBL2192471

SCHEMBL2192471

OC1CCCCCc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.46
TSHR P16473 2/20 0.46
SLC18A3 Q16572 1/20 0.46
PRCP P42785 1/20 0.46
IDO1 P14902 2/20 0.46
BLM P54132 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
CAMK2A Q9UQM7 1/20 0.42
SIGMAR1 Q99720 2/20 0.42
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 0.41

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
SCHEMBL29182252 0.98 TSHR (0.48) EPHX1TSHRSLC18A3PRCPIDO1
SCHEMBL29622997 0.98 TSHR (0.48) EPHX1TSHRSLC18A3PRCPIDO1
SCHEMBL2192515 0.98 TSHR (0.48) EPHX1TSHRSLC18A3PRCPIDO1
SCHEMBL59026 0.92 IDO1 (0.53) EPHX1TSHRSLC18A3IDO1BLM
SCHEMBL29449692 0.92 IDO1 (0.53) EPHX1TSHRSLC18A3IDO1BLM
SCHEMBL3583014 0.92 IDO1 (0.53) EPHX1TSHRSLC18A3IDO1BLM
SCHEMBL3596545 0.92 IDO1 (0.53) EPHX1TSHRSLC18A3IDO1BLM
Bromide SCHEMBL9033434 0.90 IDO1 (0.52) EPHX1TSHRSLC18A3IDO1BLM
Hydrochloric Acid SCHEMBL22770167 0.90 IDO1 (0.55) EPHX1TSHRSLC18A3IDO1BLM
Benzene SCHEMBL28873131 0.90 IDO1 (0.52) TSHRIDO1BLMCYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8501384-B2 Positive resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2013-08-06 US disclosed
US-20110171580-A1 POSITIVE RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2011-07-14 US disclosed
US-6982348-B2 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-03 US disclosed
US-20040127574-A1 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-07-01 US disclosed
EP-1362846-A1 AMINOETHANOL DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-11-19 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 (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-20040127574-A1 Aminoethanol derivatives CETP, LCAT, MTTP EPHX1 1112/4885TSHR 3729/4885SLC18A3 1169/4885

“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.