SCHEMBL18241077

SCHEMBL18241077

[CH2]C[Si](C)(C)Cc1ccc2ccccc2c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.52
▸ CYP2A6 P11509 1/20 0.52
▸ HTR2A P28223 1/20 0.44
▸ HTR2C P28335 1/20 0.44
▸ HTR2B P41595 1/20 0.44
▸ SIGMAR1 Q99720 1/20 0.42
▸ PYCR1 P32322 1/20 0.39
▸ CYP19A1 P11511 1/20 0.39
▸ HSP90AB1 P08238 1/20 0.39
▸ MC4R P32245 1/20 0.39
▸ MC5R P33032 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ FAAH O00519 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ TAAR1 Q96RJ0 1/20 0.38
▸ IDO1 P14902 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
SCHEMBL26213 0.73 CYP1A2 (0.60) CYP1A2CYP2A6HTR2AHTR2CHTR2B
SCHEMBL27028324 0.72 CYP1A2 (0.53) CYP1A2CYP2A6HTR2AHTR2CHTR2B
SCHEMBL292209 0.72 CYP1A2 (0.41) CYP1A2CYP2A6KMT2AFAAH
Ethylene SCHEMBL27321489 0.70 CYP2A6 (0.91) CYP1A2CYP2A6HTR2AHTR2CHTR2B
SCHEMBL128640 0.70 CYP1A2 (0.56) CYP1A2CYP2A6HTR2AHTR2CHTR2B
SCHEMBL18270291 0.69 CYP1A2 (0.55) CYP1A2CYP2A6HTR2AHTR2CHTR2B
SCHEMBL27028326 0.69 CYP1A2 (0.55) CYP1A2CYP2A6HTR2AHTR2CHTR2B
SCHEMBL9974257 0.69 CYP1A2 (0.60) CYP1A2CYP2A6HTR2AHTR2CHTR2B
SCHEMBL17386480 0.69 CYP1A2 (0.60) CYP1A2CYP2A6HTR2AHTR2CHTR2B
SCHEMBL73386 0.69 CYP2A6 (1.00) CYP1A2CYP2A6HTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10874740-B2 5-ALA derivatives and use thereof UNIVERSITE DE GENEVE (CH) 2020-12-29 — — US disclosed
EP-3297675-B1 5-ALA DERIVATIVES UNIV GENEVE (CH) 2020-07-08 — — EP disclosed
US-20190240329-A1 5-ALA DERIVATIVES AND USE THEREOF UNIVERSITE DE GENEVE (CH) 2019-08-08 — — US disclosed
US-10258690-B2 5-ALA derivatives and use thereof UNIVERSITE DE GENEVE (CH) 2019-04-16 — — US disclosed
US-20180133320-A1 5-ALA DERIVATIVES AND USE THEREOF UNIVERSITE DE GENEVE (CH) 2018-05-17 — — US disclosed
EP-3297675-A1 5-ALA DERIVATIVES AND USE THEREOF Université de Genève (CH) 2018-03-28 — — EP disclosed
WO-2016185368-A1 5-ALA DERIVATIVES AND USE THEREOF UNIVERSITE DE GENEVE (CH) 2016-11-24 — — WO disclosed
EP-3095464-A1 5-ALA DERIVATIVES AND USE THEREOF UNIVERSITE DE GENEVE (CH) 2016-11-23 — — 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 (4 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-20190240329-A1 5-ALA DERIVATIVES AND USE THEREOF ALAD, ANXA5, AAAS CYP1A2 561/4885CYP2A6 1047/4885HTR2A 1996/4885
US-20180133320-A1 5-ALA DERIVATIVES AND USE THEREOF ALAD, ANXA5, AAAS CYP1A2 561/4885CYP2A6 1047/4885HTR2A 1996/4885
US-10874740-B2 5-ALA derivatives and use thereof ALAD, ANXA5, AAAS CYP1A2 561/4885CYP2A6 1047/4885HTR2A 1996/4885
US-10258690-B2 5-ALA derivatives and use thereof ALAD, ANXA5, AAAS CYP1A2 561/4885CYP2A6 1047/4885HTR2A 1996/4885

“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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