SCHEMBL21226334

SCHEMBL21226334

CC1(C)c2ccccc2-c2occc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPRC P08575 1/20 0.38
▸ HTR2A P28223 2/20 0.38
▸ DRD1 P21728 2/20 0.38
▸ MLNR O43193 1/20 0.38
▸ NR1I2 O75469 1/20 0.38
▸ CHRM2 P08172 1/20 0.38
▸ ADRB1 P08588 1/20 0.38
▸ HTR1A P08908 1/20 0.38
▸ ADRA2A P08913 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ ADRA2B P18089 1/20 0.38
▸ ADRA2C P18825 1/20 0.38
▸ CHRM3 P20309 1/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ ADRA1A P35348 1/20 0.38
▸ HRH1 P35367 1/20 0.38
▸ OPRM1 P35372 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
SCHEMBL17108438 0.79 NQO1 (0.33) —
SCHEMBL17108440 0.75 — —
SCHEMBL283246 0.75 HTR2A (0.48) HTR2ADRD1MLNRNR1I2CHRM2
SCHEMBL29363404 0.75 HTR2A (0.48) HTR2ADRD1MLNRNR1I2CHRM2
SCHEMBL31358795 0.74 ALDH1A1 (0.33) MEN1KMT2ATDP1PDK2
SCHEMBL20850092 0.74 PDK2 (0.36) HTR2AHTR2CPGRPDK2
SCHEMBL24729587 0.73 HTR2A (0.47) HTR2ADRD1MLNRNR1I2CHRM2
SCHEMBL28942003 0.73 HTR2A (0.47) HTR2ADRD1MLNRNR1I2CHRM2
Lithium SCHEMBL30363455 0.73 HTR2A (0.47) HTR2ADRD1MLNRNR1I2CHRM2
Benzene SCHEMBL28919541 0.73 PGR (0.48) HTR2ADRD1MLNRNR1I2CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10370473-B2 Compound, curable composition, cured product, optical member, and lens FUJIFILM CORPORATION (JP) 2019-08-06 — — 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-10370473-B2 Compound, curable composition, cured product, optical member, and lens CRYZ, CRYAA, UACA PTPRC 4576/4885HTR2A 3473/4885DRD1 1926/4885

“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.

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