SCHEMBL2696923

SCHEMBL2696923

CCC(c1ccccc1[O])C(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
TAAR1 Q96RJ0 1/20 0.38
HKDC1 Q2TB90 1/20 0.32
GABRA1 P14867 2/20 0.32
GABRB2 P47870 1/20 0.32
LMNA P02545 2/20 0.31
ESR1 P03372 1/20 0.31
CYP1A2 P05177 1/20 0.31
PGR P06401 1/20 0.31
CHRM2 P08172 1/20 0.31
CYP3A4 P08684 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
AR P10275 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPT P10636 1/20 0.31
CHRM1 P11229 1/20 0.31
CYP2C9 P11712 1/20 0.31
ALOX15 P16050 1/20 0.31
DRD1 P21728 1/20 0.31
TBXA2R P21731 1/20 0.31

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
SCHEMBL395853 0.77 TSHR (0.61) TSHRGABRA1GABRB2KDM4EL3MBTL1
SCHEMBL20181886 0.77 ADRB2 (0.44) TSHRTAAR1LMNACYP1A2PGR
SCHEMBL20637313 0.77 TSHR (0.41) TSHRTAAR1HKDC1GABRA1GABRB2
SCHEMBL983639 0.77 TSHR (0.67) TSHRTAAR1HKDC1GABRA1GABRB2
SCHEMBL5667510 0.77 ALDH1A1 (0.41) TSHRTAAR1HKDC1GABRA1GABRB2
SCHEMBL21275538 0.75 CA1 (0.46) TSHRPTGS1TDP1L3MBTL1
SCHEMBL8094585 0.75 TSHR (0.40) TSHRCYP3A4KMT2AMEN1TRPA1
SCHEMBL2697178 0.75 TSHR (0.41) TSHRGABRA1GABRB2LMNAL3MBTL1
SCHEMBL2186068 0.75 GPR84 (0.44) TSHRLMNATDP1KMT2AMEN1
SCHEMBL8087556 0.74 ALDH1A1 (0.40) TSHRCYP3A4ALOX15KMT2AMEN1

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
EP-2226328-B1 PROCESS FOR PRODUCTION OF ALKYL TIN ALKOXIDE COMPOUND, AND PROCESS FOR PRODUCTION OF CARBONATE ESTER USING THE COMPOUND ASAHI KASEI CHEMICALS CORP (JP) 2012-12-26 EP disclosed
US-8168812-B2 Process for producing alkyl tin alkoxide compound and process for producing carbonic acid ester using said compound ASAHI KASEI CHEMICALS CORPORATION (JP) 2012-05-01 US disclosed
US-20100292496-A1 Process for Production of Alkyl Tin Alkoxide Compound, and Process for Production of Carbonic Acid Ester Using the Compound ASAHI KASEI KABUSHIKI KAISHA (JP) 2010-11-18 US disclosed
EP-2226328-A1 PROCESS FOR PRODUCTION OF ALKYL TIN ALKOXIDE COMPOUND, AND PROCESS FOR PRODUCTION OF CARBONATE ESTER USING THE COMPOUND Asahi Kasei Chemicals Corporation (JP) 2010-09-08 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-20100292496-A1 Process for Production of Alkyl Tin Alkoxide Compound, and Process for Production of Carbonic Acid Ester Using the Compound OXSR1, AOC2, OXER1 TSHR 249/4885TAAR1 47/4885HKDC1 1014/4885

“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.