SCHEMBL17084306

SCHEMBL17084306

CCCC1(CCC)c2cc(C(=O)c3ccccc3)ccc2-c2ccc(/C(C)=N\C)cc21

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 3/20 0.44
▸ ALDH1A1 P00352 5/20 0.38
▸ L3MBTL1 Q9Y468 3/20 0.37
▸ ATM Q13315 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ CNR2 P34972 2/20 0.37
▸ HPGD P15428 3/20 0.37
▸ PTGS1 P23219 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ PTPRC P08575 1/20 0.36
▸ ELANE P08246 2/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ APEX1 P27695 1/20 0.35
▸ CYP2C8 P10632 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ SRD5A2 P31213 1/20 0.34

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
SCHEMBL17084318 0.91 PDK2 (0.41) PDK2ALDH1A1L3MBTL1ATMTDP1
SCHEMBL17056200 0.86 PDK2 (0.44) PDK2ALDH1A1L3MBTL1ATMTDP1
SCHEMBL17084310 0.86 ALDH1A1 (0.39) PDK2ALDH1A1RAB9ACYP2C9LMNA
SCHEMBL17084322 0.86 APEX1 (0.39) PDK2APEX1
SCHEMBL21025425 0.86 PDK2 (0.56) PDK2ALDH1A1L3MBTL1ATMTDP1
SCHEMBL17084308 0.83 CNR2 (0.41) CNR2
SCHEMBL19186584 0.80 PDK2 (0.46) PDK2ALDH1A1L3MBTL1ATMTDP1
SCHEMBL21025042 0.80 PDK2 (0.43) PDK2ALDH1A1L3MBTL1ATMTDP1
SCHEMBL17056201 0.78 PDK2 (0.41) PDK2ALDH1A1CNR2PTGS2ELANE
SCHEMBL17084309 0.78 ALDH1A1 (0.36) PDK2ALDH1A1CNR2RAB9ALMNA

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-9684238-B2 Fluorene-type compound, photopolymerization initiator comprising said fluorene-type compound, and photosensitive composition containing said photopolymerization initiator TOKYO OHKA KOGYO CO., LTD. (JP) 2017-06-20 — — US disclosed
US-20150259321-A1 FLUORENE-TYPE COMPOUND, PHOTOPOLYMERIZATION INITIATOR COMPRISING SAID FLUORENE-TYPE COMPOUND, AND PHOTOSENSITIVE COMPOSITION CONTAINING SAID PHOTOPOLYMERIZATION INITIATOR DAITO CHEMIX CORPORATION (JP) 2015-09-17 — — 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-20150259321-A1 FLUORENE-TYPE COMPOUND, PHOTOPOLYMERIZATION INITIATOR COMPRISING SAID FLUORENE-TYPE COMPOUND, AND PHOTOSENSITIVE COMPOSITION CONTAINING SAID PHOTOPOLYMERIZATION INITIATOR AFF1, AFF2, FTO PDK2 1484/4885ALDH1A1 290/4885L3MBTL1 4801/4885

“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.

Send feedback