SCHEMBL1634068

SCHEMBL1634068

C=C1CCC(C(C)(C)C)CC1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
RAB9A P51151 1/20 0.34
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
ESR2 Q92731 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TP53 P04637 1/20 0.31
HTT P42858 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
SCHEMBL10779826 0.79 LMNA (0.47) ESR2LMNA
SCHEMBL2209017 0.75 MAPT (0.37) ALDH1A1RAB9AGAAMAPTSMN1; SMN2
SCHEMBL5670762 0.74 LMNA (0.37) ALDH1A1RAB9AGAAMAPTSMN1; SMN2
SCHEMBL16016137 0.72 ALDH1A1 (0.34) ALDH1A1RAB9AGAAMAPTSMN1; SMN2
SCHEMBL41691 0.72 ALDH1A1 (0.40) ALDH1A1RAB9AGAAMAPTESR2
SCHEMBL24229293 0.72 ESR2 (0.32) ESR2
SCHEMBL19595279 0.72 ALDH1A1 (0.34) ALDH1A1RAB9AGAAMAPTSMN1; SMN2
SCHEMBL16095310 0.72 ALDH1A1 (0.38) ALDH1A1RAB9AGAAMAPTSMN1; SMN2
SCHEMBL23812019 0.72 ESR2 (0.31) ESR2
SCHEMBL5615220 0.71 EPHX1 (0.42) ALDH1A1RAB9AGAAMAPTSMN1; SMN2

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10894040-B2 S1P modulating agents BIOGEN MA INC. (US) 2021-01-19 US disclosed
US-10894040-B2 S1P modulating agents BIOGEN MA INC. (US) 2021-01-19 US disclosed
EP-3660010-A1 S1P MODULATING AGENTS Biogen MA Inc. (US) 2020-06-03 EP disclosed
US-20200038385-A1 S1P MODULATING AGENTS BIOGEN IDEC MA INC. 2020-02-06 US disclosed
US-20200038385-A1 S1P MODULATING AGENTS BIOGEN IDEC MA INC. 2020-02-06 US disclosed
CN-106278999-B S1P regulator 比奥根MA公司 2019-10-25 CN disclosed
EP-3150590-B1 S1P MODULATING AGENTS BIOGEN MA INC (US) 2019-10-16 EP disclosed
US-10406144-B2 SIP modulating agents BIOGEN MA INC. (US) 2019-09-10 US disclosed
US-20180369215-A1 S1P MODULATING AGENTS BIOGEN IDEC MA INC. 2018-12-27 US disclosed
US-10034869-B2 S1P modulating agents BIOGEN MA INC. (US) 2018-07-31 US disclosed
WO-2006136245-A1 SUBSTITUTED SPIRO-COMPOUNDS AND THE USE THEREOF FOR PRODUCING MEDICAMENTS Grünenthal GmbH (DE) 2006-12-28 WO disclosed
EP-1558230-A1 SPIROCYCLOPROPYL AMIDES AND ACIDS AND THEIR THERAPEUTIC APPLICATIONS Abbott Laboratories (US) 2005-08-03 EP disclosed
US-20040204396-A1 Spirocyclopropyl amides and acids and their therapeutic applications ABBVIE INC. 2004-10-14 US disclosed
WO-2004037240-A1 SPIROCYCLOPROPYL AMIDES AND ACIDS AND THEIR THERAPEUTIC APPLICATIONS ABBOTT LABORATORIES (US) 2004-05-06 WO disclosed
US-20040077616-A1 Spirocyclopropyl amides and acids and their therapeutic applications ABBOTT LABORATORIES 2004-04-22 US disclosed
US-4849574-A Synthesis of olefins from ketones or aldehydes using bis(alkylchloroalumino)methane TEXAS ALKYLS, INC. (US) 1989-07-18 US disclosed
EP-0318073-A1 Synthesis of olefins from ketones using organoaluminium compounds TEXAS ALKYLS, INC. (US) 1989-05-31 EP disclosed
EP-0316979-A1 Synthesis of olefins from ketones using a bis(substituted alumino) substituted methane TEXAS ALKYLS, INC. (US) 1989-05-24 EP disclosed
US-4788367-A Synthesis of olefins from ketones using bis(alkylchloroalumino)methane TEXAS ALKYLS INC. (US) 1988-11-29 US disclosed
US-4788368-A Synthesis of olefins from ketones using a bis(substituted alumino) substituted methane TEXAS ALKYLS INC. (US) 1988-11-29 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 (7 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-20200038385-A1 S1P MODULATING AGENTS S1PR2, S1PR1, S1PR3 ALDH1A1 2452/4885RAB9A 2519/4885GAA 4680/4885
US-20040077616-A1 Spirocyclopropyl amides and acids and their therapeutic applications SCN1A, SCN1B, SCN10A ALDH1A1 85/4885RAB9A 969/4885GAA 1897/4885
US-10034869-B2 S1P modulating agents S1PR2, S1PR1, S1PR3 ALDH1A1 2514/4885RAB9A 1862/4885GAA 4016/4885
US-10406144-B2 SIP modulating agents S1PR2, S1PR1, S1PR3 ALDH1A1 2802/4885RAB9A 2009/4885GAA 4153/4885
US-10894040-B2 S1P modulating agents S1PR2, S1PR1, S1PR3 ALDH1A1 2508/4885RAB9A 1983/4885GAA 4018/4885
US-20180369215-A1 S1P MODULATING AGENTS S1PR2, S1PR1, S1PR3 ALDH1A1 2452/4885RAB9A 2519/4885GAA 4680/4885
US-20040204396-A1 Spirocyclopropyl amides and acids and their therapeutic applications SCN1A, SCN1B, SCN10A ALDH1A1 85/4885RAB9A 969/4885GAA 1897/4885

“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.